#METABOLOMICS WORKBENCH wongpuiyan28_20231210_012655 DATATRACK_ID:4495 STUDY_ID:ST003002 ANALYSIS_ID:AN004931 PROJECT_ID:PR001868
VERSION 1
CREATED_ON 12-30-2024
#PROJECT
PR:PROJECT_TITLE From clinical to benchside: Lacticaseibacillus and Faecalibacterium are
PR:PROJECT_TITLE positively associated with muscle health and alleviate age-related muscle
PR:PROJECT_TITLE disorder
PR:PROJECT_SUMMARY Sarcopenia is an age-related muscle disorder that increases the risk of adverse
PR:PROJECT_SUMMARY clinical outcomes, but its pathogenesis is unclear and treatments are limited.
PR:PROJECT_SUMMARY Increasing evidence shows that gut microbiota is potentially associated with
PR:PROJECT_SUMMARY sarcopenia. To investigate its role in sarcopenia, we (i) compared gut
PR:PROJECT_SUMMARY microbiota and metabolite composition between older persons with and without
PR:PROJECT_SUMMARY sarcopenia, (ii) performed fecal microbiota transplantation (FMT) from human
PR:PROJECT_SUMMARY donors to antibiotic-treated mice, and (iii) identified two specific probiotics
PR:PROJECT_SUMMARY for treatment of sarcopenia in aged mice. Metagenomic and metabolomic analyses
PR:PROJECT_SUMMARY showed that people with sarcopenia had different microbial composition and
PR:PROJECT_SUMMARY metabolites, and that fecal purine could accurately identify sarcopenia. After
PR:PROJECT_SUMMARY FMT, mice receiving microbes from people with sarcopenia displayed lower muscle
PR:PROJECT_SUMMARY mass and strength. Correlation analysis revealed Lacticaseibacillus rhamnosus
PR:PROJECT_SUMMARY (LR) and Faecalibacterium prausnitzii (FP) were positively related to muscle
PR:PROJECT_SUMMARY health in old people. Both probiotic LR, FP and their combination enhanced
PR:PROJECT_SUMMARY muscle mass, function, and fiber type proportion of aged mice. Transcriptomics
PR:PROJECT_SUMMARY showed that genes related to tricarboxylic acid cycle were enriched after
PR:PROJECT_SUMMARY treatment. Mitochondria density, muscle ATP content, NAD+/NADH, proteins related
PR:PROJECT_SUMMARY to mitochondrial dynamics and biogenesis were improved by both probiotics. In
PR:PROJECT_SUMMARY in-vitro studies, probiotic-conditional medium (PCM) containing FP supernatant
PR:PROJECT_SUMMARY or the combination of FP and LR supernatants enhanced proliferation of C2C12
PR:PROJECT_SUMMARY myoblasts, whilst LR PCM alone did not. The mechanisms of LR may be related to
PR:PROJECT_SUMMARY colon health improvement. Results showed gut microbiota dysbiosis is one of
PR:PROJECT_SUMMARY pathogenic factors of sarcopenia, and muscle-related probiotics could alleviate
PR:PROJECT_SUMMARY age-related muscle disorders. Further clinical translation is warranted.
PR:INSTITUTE The Chinese University of Hong Kong
PR:DEPARTMENT ORT
PR:LABORATORY The Prince of Wales Hospital
PR:LAST_NAME Wong
PR:FIRST_NAME Pui Yan
PR:ADDRESS 30-32 Ngan Shing Street , Shatin, New Territories
PR:EMAIL puiyanwong@cuhk.edu.hk
PR:PHONE (852)-35052756
PR:DOI http://dx.doi.org/10.21228/M8842H
#STUDY
ST:STUDY_TITLE The role of gut microbiota in muscle mitochondria function, colon health, and
ST:STUDY_TITLE sarcopenia: from clinical to bench (2)
ST:STUDY_SUMMARY Gut microbes produce metabolites in the intestinal lumen, which can travel
ST:STUDY_SUMMARY systemically to affect organs. Metagenomic analysis was performed on liquid
ST:STUDY_SUMMARY chromatographyâmass spectrometry (LC-MS) to detect differential metabolites
ST:STUDY_SUMMARY between people with or without sarcopenia.
ST:INSTITUTE The Chinese University of Hong Kong
ST:LAST_NAME Wong
ST:FIRST_NAME Pui Yan
ST:ADDRESS 30-32 Ngan Shing Street , Shatin, New Territories
ST:EMAIL puiyanwong@cuhk.edu.hk
ST:PHONE (852)-35052756
ST:SUBMIT_DATE 2023-12-10
#SUBJECT
SU:SUBJECT_TYPE Human
SU:SUBJECT_SPECIES Homo sapiens
SU:TAXONOMY_ID 9606
SU:SPECIES_GROUP Mammals
#SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS - NS_1 Status:non-sarcopenia RAW_FILE_NAME=NS_1.mzML
SUBJECT_SAMPLE_FACTORS - NS_10 Status:non-sarcopenia RAW_FILE_NAME=NS_10.mzML
SUBJECT_SAMPLE_FACTORS - NS_11 Status:non-sarcopenia RAW_FILE_NAME=NS_11.mzML
SUBJECT_SAMPLE_FACTORS - NS_12 Status:non-sarcopenia RAW_FILE_NAME=NS_12.mzML
SUBJECT_SAMPLE_FACTORS - NS_13 Status:non-sarcopenia RAW_FILE_NAME=NS_13.mzML
SUBJECT_SAMPLE_FACTORS - NS_14 Status:non-sarcopenia RAW_FILE_NAME=NS_14.mzML
SUBJECT_SAMPLE_FACTORS - NS_15 Status:non-sarcopenia RAW_FILE_NAME=NS_15.mzML
SUBJECT_SAMPLE_FACTORS - NS_16 Status:non-sarcopenia RAW_FILE_NAME=NS_16.mzML
SUBJECT_SAMPLE_FACTORS - NS_17 Status:non-sarcopenia RAW_FILE_NAME=NS_17.mzML
SUBJECT_SAMPLE_FACTORS - NS_18 Status:non-sarcopenia RAW_FILE_NAME=NS_18.mzML
SUBJECT_SAMPLE_FACTORS - NS_19 Status:non-sarcopenia RAW_FILE_NAME=NS_19.mzML
SUBJECT_SAMPLE_FACTORS - NS_2 Status:non-sarcopenia RAW_FILE_NAME=NS_2.mzML
SUBJECT_SAMPLE_FACTORS - NS_20 Status:non-sarcopenia RAW_FILE_NAME=NS_20.mzML
SUBJECT_SAMPLE_FACTORS - NS_21 Status:non-sarcopenia RAW_FILE_NAME=NS_21.mzML
SUBJECT_SAMPLE_FACTORS - NS_22 Status:non-sarcopenia RAW_FILE_NAME=NS_22.mzML
SUBJECT_SAMPLE_FACTORS - NS_23 Status:non-sarcopenia RAW_FILE_NAME=NS_23.mzML
SUBJECT_SAMPLE_FACTORS - NS_3 Status:non-sarcopenia RAW_FILE_NAME=NS_3.mzML
SUBJECT_SAMPLE_FACTORS - NS_4 Status:non-sarcopenia RAW_FILE_NAME=NS_4.mzML
SUBJECT_SAMPLE_FACTORS - NS_5 Status:non-sarcopenia RAW_FILE_NAME=NS_5.mzML
SUBJECT_SAMPLE_FACTORS - NS_6 Status:non-sarcopenia RAW_FILE_NAME=NS_6.mzML
SUBJECT_SAMPLE_FACTORS - NS_7 Status:non-sarcopenia RAW_FILE_NAME=NS_7.mzML
SUBJECT_SAMPLE_FACTORS - NS_8 Status:non-sarcopenia RAW_FILE_NAME=NS_8.mzML
SUBJECT_SAMPLE_FACTORS - NS_9 Status:non-sarcopenia RAW_FILE_NAME=NS_9.mzML
SUBJECT_SAMPLE_FACTORS - S_1 Status:sarcopenia RAW_FILE_NAME=S_1.mzML
SUBJECT_SAMPLE_FACTORS - S_10 Status:sarcopenia RAW_FILE_NAME=S_10.mzML
SUBJECT_SAMPLE_FACTORS - S_11 Status:sarcopenia RAW_FILE_NAME=S_11.mzML
SUBJECT_SAMPLE_FACTORS - S_12 Status:sarcopenia RAW_FILE_NAME=S_12.mzML
SUBJECT_SAMPLE_FACTORS - S_13 Status:sarcopenia RAW_FILE_NAME=S_13.mzML
SUBJECT_SAMPLE_FACTORS - S_14 Status:sarcopenia RAW_FILE_NAME=S_14.mzML
SUBJECT_SAMPLE_FACTORS - S_15 Status:sarcopenia RAW_FILE_NAME=S_15.mzML
SUBJECT_SAMPLE_FACTORS - S_16 Status:sarcopenia RAW_FILE_NAME=S_16.mzML
SUBJECT_SAMPLE_FACTORS - S_17 Status:sarcopenia RAW_FILE_NAME=S_17.mzML
SUBJECT_SAMPLE_FACTORS - S_18 Status:sarcopenia RAW_FILE_NAME=S_18.mzML
SUBJECT_SAMPLE_FACTORS - S_19 Status:sarcopenia RAW_FILE_NAME=S_19.mzML
SUBJECT_SAMPLE_FACTORS - S_2 Status:sarcopenia RAW_FILE_NAME=S_2.mzML
SUBJECT_SAMPLE_FACTORS - S_20 Status:sarcopenia RAW_FILE_NAME=S_20.mzML
SUBJECT_SAMPLE_FACTORS - S_21 Status:sarcopenia RAW_FILE_NAME=S_21.mzML
SUBJECT_SAMPLE_FACTORS - S_22 Status:sarcopenia RAW_FILE_NAME=S_22.mzML
SUBJECT_SAMPLE_FACTORS - S_23 Status:sarcopenia RAW_FILE_NAME=S_23.mzML
SUBJECT_SAMPLE_FACTORS - S_24 Status:sarcopenia RAW_FILE_NAME=S_24.mzML
SUBJECT_SAMPLE_FACTORS - S_25 Status:sarcopenia RAW_FILE_NAME=S_25.mzML
SUBJECT_SAMPLE_FACTORS - S_26 Status:sarcopenia RAW_FILE_NAME=S_26.mzML
SUBJECT_SAMPLE_FACTORS - S_27 Status:sarcopenia RAW_FILE_NAME=S_27.mzML
SUBJECT_SAMPLE_FACTORS - S_28 Status:sarcopenia RAW_FILE_NAME=S_28.mzML
SUBJECT_SAMPLE_FACTORS - S_3 Status:sarcopenia RAW_FILE_NAME=S_3.mzML
SUBJECT_SAMPLE_FACTORS - S_4 Status:sarcopenia RAW_FILE_NAME=S_4.mzML
SUBJECT_SAMPLE_FACTORS - S_5 Status:sarcopenia RAW_FILE_NAME=S_5.mzML
SUBJECT_SAMPLE_FACTORS - S_6 Status:sarcopenia RAW_FILE_NAME=S_6.mzML
SUBJECT_SAMPLE_FACTORS - S_7 Status:sarcopenia RAW_FILE_NAME=S_7.mzML
SUBJECT_SAMPLE_FACTORS - S_8 Status:sarcopenia RAW_FILE_NAME=S_8.mzML
SUBJECT_SAMPLE_FACTORS - S_9 Status:sarcopenia RAW_FILE_NAME=S_9.mzML
#COLLECTION
CO:COLLECTION_SUMMARY Participants were asked to bring home a bag of collection tools and instruction
CO:COLLECTION_SUMMARY flow chart. Briefly, the water ice pack was stored in -20 â home freezer
CO:COLLECTION_SUMMARY before stool was available. A clean plastic bottle and an oblate stick were used
CO:COLLECTION_SUMMARY to collect fresh stool samples. Participants put the ice pack and the bottle
CO:COLLECTION_SUMMARY into a thermal bag, and brought back to the hospital within 2 hours. Fresh stool
CO:COLLECTION_SUMMARY samples were separated into small sterile tubes, and frozen by liquid nitrogen
CO:COLLECTION_SUMMARY immediately. Tubes were stored at -80 â until use.
CO:SAMPLE_TYPE Feces
#TREATMENT
TR:TREATMENT_SUMMARY For LC-MS analysis of human stool samples, 20 mg stool samples from each
TR:TREATMENT_SUMMARY participant (n = 51) were added with 400 μL solution (methanol: water = 7:3
TR:TREATMENT_SUMMARY V/V) with internal standard, and vortexed for 3 min. After sonication in an ice
TR:TREATMENT_SUMMARY bath for 10 min and vortex for 1 min, the sample was placed at -20 °C for 30
TR:TREATMENT_SUMMARY minutes. Subsequently, the sample was centrifugated at 12,000 rpm for 10 min at
TR:TREATMENT_SUMMARY 4 °C, after which the sediment was discarded, and the supernatant was
TR:TREATMENT_SUMMARY centrifuged again at 12,000 rpm for 3 min at 4°C. 200 μL of the supernatant
TR:TREATMENT_SUMMARY was collected for analysis.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY For LC-MS analysis of human stool samples, 20 mg stool samples from each
SP:SAMPLEPREP_SUMMARY participant (n = 51) were added with 400 μL solution (methanol: water = 7:3
SP:SAMPLEPREP_SUMMARY V/V) with internal standard, and vortexed for 3 min. After sonication in an ice
SP:SAMPLEPREP_SUMMARY bath for 10 min and vortex for 1 min, the sample was placed at -20 °C for 30
SP:SAMPLEPREP_SUMMARY minutes. Subsequently, the sample was centrifugated at 12,000 rpm for 10 min at
SP:SAMPLEPREP_SUMMARY 4 °C, after which the sediment was discarded, and the supernatant was
SP:SAMPLEPREP_SUMMARY centrifuged again at 12,000 rpm for 3 min at 4°C. 200 μL of the supernatant
SP:SAMPLEPREP_SUMMARY was collected for analysis.
#CHROMATOGRAPHY
CH:INSTRUMENT_NAME Agilent 1290 Infinity
CH:COLUMN_NAME Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,1.8um)
CH:COLUMN_TEMPERATURE 40 â
CH:FLOW_GRADIENT A:B=95:5 V/V at 0 min, followed by 10:90 V/V at 11.0 min, 10:90 V/V at 12.0 min,
CH:FLOW_GRADIENT 95:5 V/V at 12.1 min and 95:5 V/V at 14.0 min.
CH:FLOW_RATE 0.4 mL/min
CH:SOLVENT_A 0.1% formic acid in water
CH:SOLVENT_B 0.1% formic acid in acetonitrile
CH:CHROMATOGRAPHY_TYPE Reversed phase
#ANALYSIS
AN:ANALYSIS_TYPE MS
#MS
MS:INSTRUMENT_NAME 1290 Infinity LC UPLC
MS:INSTRUMENT_TYPE Single quadrupole
MS:MS_TYPE ESI
MS:MS_COMMENTS LC-MS/MS analyses were performed using an UHPLC system (Vanquish, Thermo Fisher
MS:MS_COMMENTS Scientific) with a UPLC BEH Amide column (2.1 mm à 100 mm, 1.7 μm) coupled to
MS:MS_COMMENTS Orbitrap Exploris 120 mass spectrometer (Orbitrap MS, Thermo). The mobile phase
MS:MS_COMMENTS consisted of 25 mmol/L ammonium acetate and 25 ammonia hydroxide in water pH =
MS:MS_COMMENTS 9.75ï¼ï¼(A) and acetonitrile (B). The auto-sampler temperature was 4 ââ,
MS:MS_COMMENTS and the injection volume was 2 μμL. The Orbitrap Exploris 120 mass
MS:MS_COMMENTS spectrometer was used for its ability to acquire MS/MS spectra on
MS:MS_COMMENTS information-dependent acquisition (IDA) mode in the control of the acquisition
MS:MS_COMMENTS software (Xcalibur, Thermo). In this mode, the acquisition software continuously
MS:MS_COMMENTS evaluates the full scan MS spectrum. The ESI source conditions were set as
MS:MS_COMMENTS following: sheath gas flow rate as 50 Arb, Aux gas flow rate as 15 Arb,
MS:MS_COMMENTS capillary temperature 320 ââ, full MS resolution as 60000, MS/MS resolution
MS:MS_COMMENTS as 15000 collision energy as 10/30/60 in NCE mode, spray Voltage as 3.8 kV
MS:MS_COMMENTS (positive) or -3.4 kV (negative), respectively.
MS:ION_MODE POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS nmol/g
MS_METABOLITE_DATA_START
Samples NS_1 NS_10 NS_11 NS_12 NS_13 NS_14 NS_15 NS_16 NS_17 NS_18 NS_19 NS_2 NS_20 NS_21 NS_22 NS_23 NS_3 NS_4 NS_5 NS_6 NS_7 NS_8 NS_9 S_1 S_10 S_11 S_12 S_13 S_14 S_15 S_16 S_17 S_18 S_19 S_2 S_20 S_21 S_22 S_23 S_24 S_25 S_26 S_27 S_28 S_3 S_4 S_5 S_6 S_7 S_8 S_9
Factors Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia
10-Aminodecanoic acid 2189.1643 434.6837 2597.3673 1576.6286 2112.6529 772.9704 3584.2010 1169.1821 1704.9771 889.1989 551.3394 1705.1978 1318.7356 841.5905 2822.4029 2008.5860 1532.9367 1321.4476 472.9596 2399.6457 407.2973 784.5384 1482.4678 2066.8730 254.9650 459.5647 1734.0542 1569.7516 3609.1965 407.6212 2990.6496 2057.6601 1215.2234 2604.6581 512.7055 1874.2144 526.1489 3297.2031 269.6912 256.2947 231.7914 13980.9851 1817.3783 1368.2914 430.1782 2619.7712 2449.3691 3887.7491 2136.9857 1233.2054 1375.2857
10-Hydroxymyoporone 268.3461 732.6240 772.1606 569.0307 697.5043 838.9364 1013.8917 844.0118 764.3155 743.5198 671.5840 896.2589 285.2551 445.0714 1075.0929 895.9518 688.0992 649.3673 272.3262 976.3198 485.5404 485.4159 1115.5940 636.2643 813.4346 141.9334 814.7480 659.5129 672.1662 192.9754 900.5804 1071.1166 559.4765 1308.5469 907.5370 126.6100 179.3586 581.1092 270.0904 152.9416 632.7464 657.3294 235.6925 612.0583 967.2841 693.9901 630.0256 939.4205 625.3927 852.2474 1250.9146
10-Methylsulfonyldecanamide 12538.7723 9840.8525 240.3556 9711.1278 5306.7907 698.7447 13178.2374 9619.8140 8641.1748 3702.1979 20538.8454 11995.0004 10758.4355 12810.9330 23682.9721 8754.4966 9266.8180 9298.4425 6374.8912 20170.7236 10834.8225 12078.2690 506.9920 48818.1898 16810.3851 220.3508 2967.4654 9487.8860 12147.7210 5285.2212 6879.7114 10597.3749 12265.8992 12419.6596 3481.4250 15639.9395 288.6599 1674.5831 11638.8258 4781.9894 44984.3066 10676.2005 2969.5606 10363.8778 15313.2254 943.6405 14198.6862 44720.8441 4339.1629 10740.6449 9211.6814
1_1^-[1_12-Dodecanediylbis(oxy)]bisbenzene 130.9011 1593.9748 587.7459 157.5527 1193.4721 597.4600 620.8488 1219.6475 671.7822 1119.2328 2431.9650 574.5692 1042.6072 1479.6203 663.1295 602.7390 773.5089 1225.8200 1996.4392 186.2169 1176.5329 1335.2345 504.6026 1896.1046 2907.7325 850.6580 571.3845 2559.8767 727.6818 641.7422 774.7524 591.2244 3103.9951 1028.9076 609.5520 1208.8966 1489.3924 1850.8022 2302.2645 1919.7218 1603.1958 1749.8678 840.2503 745.9912 588.0225 633.0376 2024.3905 172.0971 440.8252 128.9030 143.4373
1_1_1-Trichloroethane 195544.6172 220912.2345 523017.3745 652927.6201 329932.0264 675263.5514 106155.3106 677851.0980 562020.9859 405887.7191 662144.6847 145435.0384 657681.9434 667295.1978 104538.1822 573912.4567 198997.2241 126568.9481 124736.8788 666081.3507 526312.1361 130422.3133 683932.3042 153733.4149 29365.3236 107784.5724 129616.1903 313675.1601 693939.3123 523428.4729 347647.3401 174662.9521 524627.4368 106053.4520 189506.0041 150285.3331 342487.4251 140647.1093 660339.5834 643576.2782 174097.0063 506658.8821 637337.1421 181817.9058 125622.1527 328226.2308 158610.0075 167746.2402 158322.5979 520244.8890 699124.6440
1_1_2-Trichloroethane 106374.5172 120857.7314 142944.1959 116588.9796 137637.0381 131612.9514 86070.3594 126426.4326 119883.7474 111691.0965 98486.3067 101604.4272 162681.8479 111589.6466 156889.5674 74151.2062 146709.4788 198637.2413 104189.1747 93810.9163 132918.0536 130123.8841 120575.9839 123434.4102 151233.9583 159861.3068 131150.6888 104396.7705 124559.4753 110415.3243 96595.9851 127990.9981 99730.2084 138642.6595 115411.4368 133672.5274 113552.4758 89614.9553 175608.7109 129457.2459 97541.4527 102712.0429 61767.1325 155449.1613 218037.4512 144100.9337 140606.9208 90785.6990 105009.1394 115402.6163 132871.2701
11beta_17beta-Dihydroxy-17-methylandrost-4-en-3-one 15219.6684 11225.1236 10835.1349 13657.9423 12300.9325 13487.5327 16460.8375 11258.9399 6676.4184 15438.1589 12071.8979 13989.3468 24937.0455 75163.3131 33503.6907 21491.4314 15510.1398 15680.0591 11287.7035 15555.6245 9427.3448 17762.2645 18616.7561 8408.0113 15292.6446 11575.6887 15259.6357 14257.9533 37181.9083 7630.3636 24216.8541 12806.1105 11290.2177 15491.6597 12056.0143 10437.4779 8498.0231 10185.5724 9028.8236 8752.7226 14976.6067 8848.0486 10563.9367 6202.9617 13892.2251 22096.2161 22801.3169 12515.5542 10996.5661 10436.3980 16317.4109
1_1-Dibutoxybutane 2742.8215 2973.6352 1255.8871 776.6037 380.4011 1533.2682 1862.8966 2012.1923 4878.4796 4211.3103 3547.1366 2433.8790 1749.9729 5639.8375 1746.2505 389.8708 1223.1306 2623.7101 4685.2939 1629.6963 4184.3362 2686.1412 2131.8441 2672.6634 2842.1986 365.1148 3268.7084 3542.1047 2105.0954 5994.9920 3130.1552 370.8417 3722.4246 1257.8552 2381.9857 3696.9907 4259.3104 2732.3785 4545.2409 4368.7148 4717.3227 3855.5365 11282.7496 3517.7708 2202.9530 997.4728 2535.7104 1739.3361 4701.6571 3000.6539 1835.0371
1_1-Dichloroethane 39110.9564 329205.6665 93894.4703 70832.7896 52969.8004 70925.1625 262067.3747 57728.3598 69493.1865 49128.9100 85103.1174 44427.5385 55421.9279 50336.4097 362873.6731 134208.4612 547657.2529 232881.9842 32870.6729 84059.8335 47039.9692 54711.9699 62215.6924 97260.3620 88092.2314 500156.1776 227196.4543 64175.2121 74180.0054 212819.8210 42015.9708 385870.1077 41877.3375 52452.7646 104342.7879 45578.1409 38776.6396 231191.7347 44150.3947 48533.4502 42103.9132 31912.0870 351973.9574 47099.8265 72908.4104 141017.7924 81730.3218 107823.4404 73566.2278 370952.1313 50730.3892
11-HETE 12780.0459 8141.8724 1044.3535 12431.4749 121.7179 3320.5591 1194.2330 122.0372 8171.9972 11844.2007 142.8147 13303.9475 148369.5175 17358.9284 131.2647 2572.2192 7772.8265 285.4268 6415.4366 271.0861 8526.4716 2111.2977 8139.0027 2329.0416 9453.9147 8803.8690 740.6659 140.0456 410.9563 9632.6350 8371.2378 11948.5652 5423.5495 140.1438 2780.6465 231.3635 4922.5850 5536.7115 8020.9175 419.8549 11370.8849 302.3857 611.7123 12301.2468 135.4363 638.9428 11481.7742 7763.0355 8322.8962 7501.8373 5521.9303
1_1^-Methylenedinaphthalen-2-ol 125.3361 1325.8059 1565.2317 672.4153 1501.0762 1016.6888 1276.2599 381.9926 4422.7156 685.7092 453.1619 1071.2149 803.0664 2456.8534 957.6276 2469.2579 571.8238 480.5629 2354.7963 124.7020 2773.1031 1511.2475 806.4001 1351.6048 1036.0097 280.9189 869.2756 911.1432 856.8828 2311.2095 2430.1694 517.1058 1066.7499 761.5338 189.8846 818.3592 2980.4999 2980.0650 1137.3016 468.2378 1586.9233 1344.4054 247.1014 1072.6163 778.7573 2169.5375 2845.7083 1031.3713 1208.1347 899.4639 1341.0581
1_22-Docosanediol 6493.0688 1520.7524 3954.5959 8659.8346 1397.4147 5318.6704 8960.4989 9076.8958 3055.2437 17027.4603 392.9875 5914.1220 5685.2108 28731.5759 2578.3356 2179.0580 367.1567 8119.0682 1916.1369 1551.4156 6782.0982 6711.1188 713.6983 7899.8722 5535.1376 9590.7114 2189.1589 7472.8965 6073.1154 27197.7028 8920.6697 1984.0886 7269.1495 5331.3600 2712.7110 14923.5552 6498.3633 12635.8915 10307.2315 8262.5318 8392.3349 4454.7582 3395.0671 4654.8576 1519.4879 2842.3099 6352.5006 3848.7904 3467.2428 2028.3263 2277.8510
1_2_3_3_5-Pentamethyl-1_2_3_8-tetrahydro-7H-pyrrolo[3_2-g]quinolin-7-one 2760.2782 2821.6377 2320.7286 4096.4690 2367.7244 2839.4604 2415.9472 2615.8266 3065.2238 3388.3053 2341.3654 2436.4899 2050.7615 3536.8956 2676.2358 3179.3627 2625.8737 2732.3149 3856.3243 2614.4990 2620.1971 2584.6170 2498.4479 2771.6950 2077.1630 2614.3177 2837.2936 2546.2860 3123.4515 2405.5611 2925.7136 4349.5884 2002.0213 3149.4500 2238.6472 2830.7991 2364.8837 3046.7301 1847.5591 2114.9478 1607.1914 2615.3191 3036.3025 1514.3043 3462.8652 3247.8296 2577.5179 2556.1076 2855.6384 2570.3749 2551.5857
1-(2_3-Dihydro-6_7-dimethyl-1H-pyrrolizin-5-yl)-2-hydroxy-1-propanone 23497.5472 18982.8803 35933.2677 25712.7075 22098.2631 21709.4334 40926.3293 70417.4654 57599.0737 20160.2579 47348.2616 20092.6878 21419.1787 205274.9311 25754.8480 59695.4659 20996.4790 126377.7689 40070.3600 32039.1288 33102.0579 18651.9254 23318.1015 26166.7806 18284.0559 317760.1748 56313.5723 92025.6296 31094.2344 446043.7644 565083.0839 275086.3514 37634.0568 46422.7089 69754.7011 181944.6574 60065.2725 24082.9243 27800.4417 351210.6429 42877.6671 14149.8315 25417.9786 28432.0003 57033.3303 14410.2579 26500.0350 22538.5179 58710.3432 81273.6946 37553.5719
1_2_4-Triazolo[4_3-a]pyridin-3(2H)-one 22914.3079 4492.5872 11179.3784 1658.9179 10023.7892 14417.8947 13051.7765 22843.0235 11206.8376 4746.8416 11101.5446 20031.8784 5461.2281 11446.5987 10350.3186 3606.8462 7333.8913 7699.9118 7570.5611 635.3136 3916.3996 10339.0889 12561.9361 2989.5373 5575.8072 22931.7217 7908.0316 7996.2017 18849.0975 6189.5905 5489.0496 16803.5819 12926.2195 13261.6406 9831.5257 9565.7037 13489.1677 4875.7069 7767.8437 6239.0049 13854.3930 4066.6703 5890.1000 8726.6030 11978.9821 3106.5820 11428.0508 10885.2246 8340.8304 14817.3179 15543.2545
1_2_5-Trimethyl-1H-pyrrole 293.9107 485.2725 1124.1284 712.7153 456.5162 459.7825 816.0619 446.4149 141.9034 603.9499 307.0054 147.7356 546.2161 130.1983 611.2407 319.1076 564.1671 548.1213 562.8281 148.1205 635.2164 733.2493 488.5042 166.8052 769.8598 312.7538 446.1871 505.2322 138.3105 645.2517 1249.1521 701.9832 2767.6243 2532.0962 641.4395 700.1466 1386.8845 626.6828 974.9321 519.6023 260.6621 111.8446 745.0883 333.3350 494.8679 583.5544 137.8956 440.6614 1237.2890 346.2599 451.0299
12alpha-Fluoro-11beta_17beta-dihydroxyandrost-4-en-3-one 8637.4577 8786.7287 8348.8571 135.4137 8233.1194 8035.1532 7631.3108 6480.3114 8754.4227 12167.2148 947.5045 1676.6912 8199.9681 9413.8790 6051.0140 8483.2870 7596.7363 661.7896 644.5818 6053.2130 10566.4647 8256.0164 7665.7197 2086.9159 5625.5888 7994.0106 15182.5769 118.7469 9145.1016 7363.1893 11232.5609 8579.7943 9792.7525 2983.1088 7336.6095 4400.1288 25028.3628 10902.2936 26117.6057 22399.0216 20023.6683 5324.5668 42058.6775 20127.7218 6864.3098 10103.4464 10129.1555 7209.1958 134.3858 8972.9119 7149.6131
1_2-Bis(chloromethoxy)ethane 5247.3409 1650.7341 9082.8416 1160.4047 4595.8608 7086.3094 6266.1486 5059.9461 3360.8392 1057.5700 1099.5394 6879.7031 2749.8281 1809.6666 1732.9224 2284.1313 1840.8903 2481.9938 3358.4805 3406.4120 1503.6757 2186.6508 5847.3133 3272.4248 4255.1353 9153.2759 3187.1040 3977.7309 6839.0926 1239.8653 2622.9072 11688.4505 5732.9893 4674.3095 3702.1916 4062.3228 2659.0878 3514.0853 2335.2337 3273.9342 3236.5392 2065.9730 2448.3246 4705.8053 3169.3958 2671.1590 3707.4492 2874.3009 3877.1915 6138.0720 3345.0538
1_2-Di-(9Z-tetradecenoyl)-sn-glycero-3-phosphocholine 2167.2161 2421.9795 4362.3873 1108.6438 2048.7314 1284.3169 1249.7580 8643.5560 45545.0544 19921.0017 11817.6581 1239.5285 4378.8578 12150.8253 848.4940 1501.2386 2006.3096 77220.4279 24840.7728 939.2930 3904.9454 1109.0405 1952.5039 1240.9432 833.8225 216987.6273 2181.3830 38224.1788 3050.8060 10867.2628 8654.6155 22315.3021 1516.3180 7441.0311 8750.7527 89362.1938 10025.9015 3209.3531 1502.4988 14109.2819 3202.7103 1806.3266 3367.5833 10150.3562 1269.9657 3310.2069 2398.6815 1325.2997 22976.7504 3904.2077 9179.6092
1_2-Diaminocyclohexane 20337.2023 2821.5668 336.4508 3074.4502 8114.3094 3403.5940 392.2943 7588.8439 1213.3670 3249.1272 6532.5710 395.3672 5407.5839 972.6771 1790.7441 18445.8795 4226.1771 3753.6589 297.1917 5023.9834 15652.9849 7799.0241 2889.9748 5375.0394 3049.8639 10372.0149 2157.8147 5686.5925 8298.7051 3412.9323 5638.8357 2044.7343 4303.2464 8718.8562 19681.8297 6409.8837 5839.6259 3137.8960 5444.0293 3951.3154 5541.6496 2564.8214 10080.7914 7829.0531 4840.8297 13658.0536 22796.6193 1599.2715 15859.7175 3089.5841 6702.2530
1_2-Dichloroethane 42042.5390 28454.5335 52512.5047 37986.5793 77665.6295 67761.3916 63543.9445 149579.8588 74024.5706 82150.2835 59057.0696 36339.9872 70111.4715 70602.0107 56289.2201 57021.7561 35632.5359 35762.6515 30851.0795 126859.9491 52041.7409 38932.2521 37098.3680 77844.3501 54244.4031 89275.2636 74122.1130 102686.4496 64982.2277 86173.7814 83869.0715 77992.8625 73014.9992 73463.1596 35315.2278 71178.9774 34191.3793 41372.3298 64225.0748 56848.5644 44973.3146 77883.0176 26200.8337 18380.0219 52349.3038 38239.7479 81080.2955 71941.3808 73108.7588 90558.8767 51239.9596
1_2-Dihydro-1_1_6-trimethylnaphthalene 7842.2211 4445.9885 12604.1243 7238.3788 1784.7166 23921.1161 8147.9324 2378.3540 1284.6761 22532.6082 24499.1535 1141.4457 3897.0689 840.8700 1806.2858 172.5637 1093.1718 1751.2885 16299.4123 6940.6144 5643.8318 357.4825 6277.1158 6881.3768 735.9154 18455.2651 7161.6972 1795.7245 35722.5885 13169.7652 7715.5562 5415.8645 16568.4802 4830.5678 2551.0569 3252.0910 19292.8631 7756.1345 1801.2083 13626.3918 1382.0386 3266.0617 14162.0605 1616.5916 8274.2250 194.5728 14628.1459 1128.4995 156527.8425 13394.3714 2924.6144
1_2-Dilauroyl-sn-glycero-3-phospho-sn-glycerol 18195.5899 5457.2868 9922.8786 8973.1393 8741.0550 12427.2747 8197.0286 8959.1219 11643.2655 27418.6500 13355.2634 14026.9934 13375.5861 21676.3811 8063.6007 12315.9788 250.3606 274.7517 13739.6297 8405.5479 4427.1841 10722.1369 11147.6214 3128.4387 23213.8213 22819.5187 1970.4604 17114.5664 11819.5520 270.2305 15007.6619 14256.9977 10786.4357 510.4965 10278.1433 20907.0523 35851.4775 14334.3150 43249.6933 25687.6708 91548.6495 4437.9267 3239.9601 4795.6278 8156.8304 8830.0215 14396.0391 10016.6885 9360.6646 18801.9071 8242.3875
12-Hydroxyoctadecanoic acid 8452.7855 30661.7664 5004.0665 25800.1555 7132.5072 4443.7801 9164.3674 6064.3106 10975.3175 22747.6124 8616.2991 7629.2725 34252.2183 25847.3123 10095.4651 31066.7506 5269.4037 6505.7309 6926.7718 4483.4442 14864.8820 24776.3987 3339.9200 2090.8920 7790.9251 15697.9960 9661.6414 8867.6519 26728.1605 21843.9447 11956.1399 5650.4850 2229.4171 8187.8950 5996.1864 1399.4813 4882.6121 9181.2249 3964.3892 7268.6211 7063.0114 6707.8158 15287.0711 11041.4675 16529.1949 20431.9310 20298.3192 4765.4782 2519.5620 5620.4610 10598.7790
13_14-Dihydro-15-ketotetranorprostaglandin F1alpha 1970.5406 5288.9067 2621.7258 3965.6461 10517.0765 13389.7517 3306.4165 4761.3863 2599.0474 5551.4644 4684.2770 2889.6060 4657.2412 608.4372 4893.7760 3641.7770 4759.5406 10492.8258 26943.2621 4166.0001 2663.2257 1992.8878 3904.8366 3780.4369 4264.8346 268.1734 8041.6842 2584.7242 2413.5487 6877.5895 2345.1615 4933.4092 6312.1315 19180.3752 3742.8601 8301.0748 10527.2880 5171.7204 4923.3064 17233.0885 31237.4816 9376.0379 11773.7753 5060.0530 4997.1685 16071.8187 3021.4973 7540.0801 37363.6101 4057.5769 6040.5914
13_16_19-Docosatrienoic acid 4361.6811 3212.8607 285.0913 10009.4469 5023.1541 22861.1973 5076.5776 4943.3697 1138.3098 11037.3954 2963.1713 279.9408 5094.2429 6769.8155 4280.6614 1699.3660 3130.0128 8347.5195 11243.4296 3936.9115 12854.2595 4173.1225 1044.0003 6663.3955 1576.8711 8132.0360 1706.2312 7096.1612 6261.6956 7458.0892 5414.3844 253.1304 10792.2556 4819.4445 4934.7025 9410.6013 10449.3422 15803.5252 1363.5292 3790.5033 903.3686 3013.5300 2118.4907 2754.7385 4607.8158 6462.4371 6101.5708 5570.7690 5878.2649 4944.1440 5324.6743
13^-Carboxy-alpha-tocopherol 6928.0278 3837.1897 2769.6971 537.7985 647.2335 1830.4656 124.2916 131.0910 1571.0031 1679.5088 2237.0107 1103.7246 5350.4597 1884.5343 1312.3550 852.8013 1340.5753 3075.2947 984.9122 1211.3045 3709.9762 1050.1761 115.2996 2170.0278 1309.4838 16672.0378 4190.3852 1866.3028 4414.4303 1447.8239 7398.2189 3596.0727 1026.5898 2694.8676 6618.3480 1092.0981 2028.5114 10185.4569 3842.0940 953.1084 2593.2262 4427.9693 989.1479 2069.0762 439.7589 1214.2295 3189.2117 118.4108 131.9485 3496.2714 333.4105
13-Deoxytedanolide 4668.0043 11552.4310 998.3276 3973.4372 676.9068 4283.6811 4085.0899 5615.7155 1934.7398 14145.5729 9293.0221 5323.9718 4992.1949 1009.0667 4741.8634 4577.8074 6821.8588 9051.2230 14145.7208 4156.2112 10232.7385 4316.9931 4220.8244 1626.1553 15352.1699 965.0042 4802.8784 6266.8944 4576.2163 1561.3827 4615.1626 4774.6042 4656.5526 6178.9306 7086.8014 18117.1437 13160.2159 1229.7392 17777.8350 14394.0603 16694.2450 6042.7038 12044.7425 14539.7219 5444.2889 4855.8893 1196.4498 4191.3751 15529.2874 15144.6685 3846.9091
1_3-Diaminopropane 1565.7987 828.1630 979.8492 905.5008 793.8554 939.6599 1021.4542 4183.2659 237.4610 370.8771 605.0305 809.0143 845.5095 1161.9396 294.3917 971.6000 805.3561 476.5504 982.2270 954.7509 1077.2909 1073.1930 845.7003 2075.2474 1967.2397 3839.2274 753.4620 1365.7482 1519.0705 958.7322 1119.7344 269.1421 938.9236 1187.1155 918.5938 192.3921 828.7534 190.9924 915.8801 191.0054 1517.0292 750.3941 1007.8375 400.9769 850.4748 998.9765 993.5944 762.8204 201.2654 3747.5674 155.3579
1_3-Diazaspiro[4.6]undecane-2_4-dione 1290.4331 9767.8856 7371.5897 17462.3018 2223.6168 12328.1267 9606.8995 11932.4056 10780.5796 556.7198 15532.9160 4514.4502 9251.8369 7527.7113 9537.4024 497.5214 10487.0436 43688.5468 10481.1026 12562.2293 10361.5505 2022.8477 11018.9877 27735.3328 10242.1100 6099.0889 17211.1890 11905.0667 11809.2650 5617.5207 12256.2925 10407.4220 4170.0194 23244.5230 10901.7570 227832.6957 498.5650 1200.6779 4188.0385 16170.4115 1560.0471 1555.9297 8536.2315 4453.5815 15669.7277 25335.2792 524.4751 1543.6373 2637.4415 19990.5719 382.2835
1_3-Diisopropylbenzene 2986.6427 3233.7355 2053.6813 861.3786 2535.9836 2328.8661 2057.4504 616.3538 2934.9386 5157.8448 4007.4669 1042.3647 2961.5108 5229.9322 495.7109 2592.0363 2120.1863 851.0340 5721.7006 2212.6070 11134.0203 2795.1139 2076.3772 3087.3329 6702.7346 2603.8166 891.8367 3820.6990 2915.8136 1477.1873 160.8437 3259.1830 1779.3712 6815.2390 1160.7757 4253.6115 10005.4024 3195.7562 7827.7607 5122.7610 9598.2228 12175.9231 11236.3577 10752.2538 2582.0791 2411.5522 3660.3911 2420.3007 11506.7911 9971.1799 1087.9201
1_3-Dipropyl-8-cyclopentylxanthine 722.2327 9068.8860 2802.5532 9479.3134 883.2107 1968.2251 3161.6388 9387.6380 42900.1261 9571.8018 22578.2707 67.8775 244.6104 716.9531 8765.5300 2523.9120 877.7854 52818.8030 18094.3470 3195.3737 69.1402 8771.1138 2605.0214 10446.3467 9430.7621 39631.1026 1076.7320 9554.5452 2029.3792 2723.0801 1557.5776 5508.3162 8447.5703 3934.9140 7057.7052 46569.0031 5985.6232 3149.7031 578.2687 1575.3035 376.2128 1824.9257 1615.9067 6622.5380 2277.0437 3068.2737 453.6757 3294.6680 8913.0832 2592.6981 15158.6879
13-Heptadecyn-1-ol 13941.5258 19742.8026 19916.2168 14874.8954 25465.1049 7392.0122 2906.7881 20822.2819 133250.3317 25331.7137 968.8557 2494.7266 20901.2459 29063.1870 2392.8530 14909.7183 27227.5973 11144.7501 2042.7751 16902.6361 298.5733 30593.4677 21506.4259 671.8073 5242.0168 15023.0936 57357.3978 27643.4376 5071.7488 35282.6983 26951.4810 15336.7933 7601.8399 23364.5226 8708.4718 5694.3464 40912.9872 96058.7271 2180.0205 52556.8317 20819.3979 98933.1038 29767.6540 16907.2212 20343.1254 19844.3226 19876.5472 18626.7734 718.0777 362.0792 23027.3689
13-Hydroxy-9Z_11E-octadecadienoic acid 5929.0864 4222.3779 6848.4359 30735.2514 5622.7492 4653.5998 6416.5070 4850.7246 2276.5350 15043.1713 2546.7036 6774.5552 2009.7374 13824.5408 6406.8121 832.6925 6345.3372 150.0268 3249.6594 6019.5018 6292.4072 28062.2162 5812.3576 4358.0545 7118.6688 146.2627 3903.6696 4046.5236 6095.6933 348.4060 1333.0917 6730.1767 997.9638 6009.9510 4295.6488 3711.9927 2460.4131 311.9848 150.0663 3724.2366 853.1646 437.0972 5678.3232 4599.4191 3025.6447 5477.7246 5188.5711 6143.8699 1892.2516 4694.9811 6486.5935
13Z-Docosenamide 15252.2706 15242.0540 16438.3564 14202.6669 24501.0533 14392.1658 42091.5832 32368.7814 15172.2560 12285.6860 10712.4300 31694.1044 21561.4692 15516.0449 68091.2567 25129.8744 25849.7822 20148.4091 17903.4683 33595.9351 18139.9742 24756.3739 23857.2118 29784.4770 24519.0290 10734.2989 19964.8257 11194.5850 10196.1998 9720.9974 11139.2148 61766.6147 10853.1058 27193.0893 15405.9761 10054.2965 16200.6894 8561.2431 34720.6597 14262.9563 19010.9455 14313.8961 16840.8470 7869.4786 28544.3534 33913.6642 32109.2486 36778.1584 11203.8891 13602.1195 24200.0089
(+/-)14_15-EpETrE 36690.5730 7690.3920 3023.9326 2241.5099 32798.1182 5004.5647 17744.2178 38103.2530 33861.5687 1375.6997 3241.6393 42377.6620 144596.2125 84241.0126 42304.9229 449.9990 1537.0577 3937.2965 2055.6439 49802.0558 1444.2917 22606.4529 33000.2303 1911.8965 39263.0704 2615.7811 1243.0321 70462.6970 112.3227 6241.9705 30016.4354 27376.5037 48762.1896 59287.0622 27099.0132 487.4975 406993.7426 31825.6798 257.0299 1789.2666 33026.7533 19578.8610 1564.0514 138196.1028 63238.3950 793.9167 35943.4725 21535.5519 16228.4152 45792.5656 26887.0308
1-((4-amino-2-propylpyrimidin-5-yl)methyl)-2-methylpyridinium 145.7154 19087.3074 14206.3872 2699.7014 137.8235 558.6996 114.9563 56681.1267 33957.0659 32919.8164 355.7112 2220.9174 15842.8314 38472.5451 411.8715 9507.0967 10835.3476 28313.6207 302395.0246 728.7333 47965.0614 443.8103 4321.7612 4417.6237 19378.6480 38835.6958 35902.8530 25722.6098 219.7836 100.4378 15223.8793 111.2579 2282.2111 22180.1920 5939.5664 520.3958 1753.0444 20339.3846 1297.3282 136024.9165 233.1746 1121.7208 192013.4402 19609.3427 785.4534 13342.8568 640.3234 2359.8408 113827.3178 30372.1846 4763.8178
1_4-Naphthoquinone 390.1026 601.2634 454.1884 903.5261 443.1803 505.8395 419.5899 350.7568 530.9155 558.3551 572.1678 497.0791 421.6357 500.0880 437.4752 139.2438 159.2644 604.7050 548.9249 397.3028 465.9539 558.4618 448.3991 517.0985 1778.2473 852.8681 517.5894 126.7578 357.4006 577.1533 298.4877 126.1106 204.8426 635.1582 892.7047 170.9147 1204.0298 464.9963 612.9442 301.0736 562.8585 338.2181 493.4921 494.3482 439.3041 443.5319 165.1169 393.4208 595.0241 379.9818 546.5397
15-Keto-Prostaglandin F2a 97.0570 3879.7815 3176.5409 3993.3440 116.8300 1752.0675 2228.3203 2839.1103 17959.4091 8116.3037 3118.4043 2081.0789 3600.2534 404.6908 3004.0536 2414.0543 820.2268 31004.7758 15219.4422 2787.9576 3366.8695 3513.5269 2580.6219 4336.2758 4280.7700 23570.2858 2418.4261 11495.8524 959.6544 4214.1585 197.6238 4035.6542 4795.7136 2026.6708 5939.6380 18700.6125 4076.4384 381.6870 2030.3923 2428.6443 3396.3379 2583.2920 2201.1022 7286.7328 2847.6273 2314.7711 180.6080 2820.5459 1131.8639 3649.6743 2696.8876
15(S)-latanoprost 1779.2377 1904.7905 484.4274 1865.8919 1888.0461 1985.7170 2257.4761 2891.3266 4278.5517 2419.9797 2112.0517 1981.2782 2179.4864 3515.4354 2276.4107 2410.9822 401.6209 3521.8724 2507.2958 1872.1729 2243.0726 696.5335 2348.1267 1869.7154 2338.0757 11236.4593 2824.9351 3815.6119 2581.7861 4691.9612 7752.7233 4622.6683 2384.2411 2673.8652 2822.0417 3652.2554 1039.0214 1012.1806 2050.2262 3921.0149 2420.7240 1709.2746 2714.6809 2211.7543 2566.6360 2108.1602 1885.0824 2075.3013 2350.5722 4613.7713 1836.7905
1_6-Dioxacyclohexadecane-7_16-dione 16090.0920 65236.1421 11241.3260 14411.6904 11492.0641 7985.8113 4014.5169 12439.2849 61148.4373 140000.3729 105529.8374 3379.5943 20608.1677 45245.2362 40395.2198 22390.1907 1150.1646 71337.8012 74709.5692 7622.7185 10968.0112 105828.3932 8498.9240 42272.2696 18668.6109 37332.1725 26921.2088 79877.0446 40837.7916 4117.5179 56331.2680 32163.7838 14384.7104 51594.1425 67873.9776 43264.9619 113594.2659 62782.4993 110385.7903 138926.0134 13501.8788 122640.2492 69235.6435 55560.9755 4922.9980 16012.9773 71282.5646 14749.1852 106247.8443 33462.1240 31022.3556
17beta-Estradiol 29887.7545 107.9396 4234.3674 573.0991 2671.8960 1687.4823 99.2653 3582.7819 4437.5578 3039.4832 3489.2557 6502.5276 5155.6193 4921.9077 1083.1312 4275.7280 1834.8414 2263.1897 882.4205 3947.0898 1473.5443 8806.5215 3459.9375 1750.8509 4420.1709 16978.2058 4636.3194 8991.5885 2311.0493 405.1482 6796.5917 6221.4364 105.4660 1324.3514 15460.7282 1570.3765 5725.3888 11545.9680 929.6257 1401.2440 1281.9633 10316.5236 4485.9670 1019.7870 892.2984 8720.4697 2382.1230 3260.8504 373.9663 8568.4573 6039.2669
17-Oxodexamethasone 245.0880 5302.7600 8222.7972 17446.3360 218904.7299 13944.1913 8651.5417 124337.0755 17380.8884 27114.3794 2029.4488 11330.1873 2665.0227 20635.1464 4594.2530 5672.7379 4892.9603 8467.8507 11397.1352 5691.7800 3782.0508 24111.6483 4169.4360 216497.0238 30025.0581 2060.2966 11614.5661 188437.6289 22506.8285 342436.8341 29192.5144 16029.4948 16629.5927 8837.5032 14553.1209 15223.1810 45276.3409 85638.3636 6113.0260 4314.4964 4829.7415 21570.1463 68005.5149 5602.1930 7686.8423 44575.3887 13580.5523 11975.0645 43282.6721 11063.4819 8978.3275
18beta-Glycyrrhetinic acid 172086.9497 133404.9760 96894.3482 88720.0622 77636.6218 100032.9891 94691.1554 118928.9508 153068.9537 70556.3761 512321.7661 87478.3296 43904.4117 5427.3653 1617.0625 104922.6863 103016.3808 11117.4874 732775.0872 96530.1771 18667.6499 84199.9344 78993.6428 906727.1801 152453.7989 241551.3818 250.6505 9999.0536 261.5464 1747.5566 9789.9356 134730.0598 15233.4455 123037.8945 114522.4001 6614.8136 2681.8882 82443.7661 27861.4171 259.7369 275175.7867 4485.8794 2178.4075 148205.6877 89484.2645 117726.7681 119348.4246 78941.7094 126263.6827 3886.7562 3474.6109
19(R)-hydroxy PGF2 1436.5236 11203.2527 9606.2084 12254.9584 1689.1147 3951.6598 4413.4932 6370.8212 39951.7168 26850.1847 11582.2983 495.9394 9932.8056 2540.1458 11711.8810 5374.2261 3423.9896 84399.8198 46975.5688 5777.1545 3814.5005 12284.8610 6139.9578 12398.5429 13722.4008 69281.9432 3038.8029 34991.0288 4109.0396 13581.0309 2445.7990 10928.1123 11555.1785 5871.5954 15722.8573 39038.0985 10797.0140 1309.2717 407.6786 904.1408 96.8543 1059.7965 745.7388 21336.1631 7886.9213 5611.1034 1534.7512 5117.9693 11407.9105 9680.7751 8383.2715
1-Acetylpiperidine 4001.6862 39498.5597 10136.7801 19649.6107 4048.7584 18889.3625 443.6413 7077.8066 76968.8621 64600.7699 40240.2027 465.7434 5005.4433 16355.9613 12805.2796 6945.4185 1356.2402 16430.0249 14369.9502 580.2160 1001.5590 27009.5864 10953.0345 8618.8430 96.6598 19591.2616 9548.1069 29296.5625 4862.5232 443.1325 22855.6497 1706.6445 26832.0479 107554.7262 51380.2680 26326.8566 86803.9995 28628.6843 77610.8279 56449.5519 5325.0622 20410.3580 30253.1124 7985.4792 15963.6470 8110.0530 13712.9203 10741.0084 91449.2918 20391.7490 23484.9539
1-Aminocyclohexanecarboxylic acid 3334.1133 2359.7290 12025.2773 5191.7519 321523.0141 16724.4854 3861.2586 4575.7481 38256.3557 41643.8433 1097.0746 9599.9081 158.4494 12268.6649 13137.3399 29706.8507 889.0302 21156.9038 6526.4465 20257.1266 3132.6126 14914.5743 323.2131 24519.0639 4793.2277 10352.6488 45691.2172 15576.5853 5777.5207 135.6921 149.6649 18968.0514 5502.4197 139298.4739 15833.6219 611.5233 3029.7671 6822.3614 737.7313 31107.3065 930.2614 8935.3185 5992.9019 67710.0977 104843.7136 4144.6912 7961.6724 57398.8562 70429.3391 5891.3362 152410.9483
1-aminopentadecane 340668.2878 1067701.0170 686652.7907 731289.3628 845401.1378 846796.8213 1266542.1240 864081.7376 346328.0220 815941.0020 739128.8541 935522.8860 325278.2985 170568.8181 869834.9331 665232.2220 1139749.5260 991543.2270 482221.2936 991619.6924 686906.8480 931191.3618 937384.4860 446326.5535 901631.5222 177860.3676 732756.7602 431010.1805 460801.4993 690675.9681 236204.4513 1024603.4710 634668.6206 975066.9261 748594.1692 689892.7048 364297.5577 587671.2650 523599.3797 595276.3085 298679.6444 790905.5840 703315.1581 774225.4171 895226.4971 932983.5926 421157.0459 562764.8012 631489.9929 235533.0498 786558.0494
(1As_7R_7aS_7bR)-7_7a-dimethyl-1-methylidene-2_6_7_7b-tetrahydro-1aH-cyclopropa[a]naphthalene 4280.5336 64501.6866 13915.0131 8851.5599 5468.5428 28068.6815 1396.7819 10643.0681 122676.2634 109463.4969 52535.1066 1146.2930 12321.6694 21378.9852 14963.9839 22753.0592 1785.4687 20690.9643 24801.4700 757.5047 2427.7179 41123.1385 12131.5420 10853.0560 1873.1037 26913.3675 13363.1139 48967.0141 5923.3586 1494.5565 29474.0262 2868.5020 39681.2756 176891.9853 66335.0709 37650.3585 170300.4321 47478.6818 141318.5462 98383.6690 8342.0272 32597.2264 49577.5008 11522.9871 1866.0425 9352.7599 14473.7268 1701.6780 192766.9570 26979.1600 34872.3127
1-(beta-D-Glucopyranosyloxy)-3-octanone 6899.6717 5359.2584 230.7093 6895.1452 7095.1161 4723.6555 5988.9038 280.6040 10686.0568 2684.1607 250.6522 13944.1360 6430.0752 7477.8656 3187.3250 6173.6226 2563.2717 5527.4890 1495.9228 6655.5801 6346.5664 7533.8839 2797.5323 6333.3408 5704.4983 3498.5174 5555.7067 1405.3312 8139.5168 6602.0117 7270.5002 4166.0746 6132.1681 6640.3505 9842.2613 5703.6001 12512.6068 15479.9569 11978.7855 6115.3050 6906.4220 2521.5075 6867.3465 6689.3990 7836.9731 2183.5280 3719.8645 5425.4388 7274.3323 18014.1595 15066.2147
1-Ethynylcyclododecanol 11027.9990 10014.1187 2931.4254 11003.3136 8943.8103 5168.6715 1213.6740 978.0035 3657.6464 12140.5422 4192.2308 3484.3720 7981.2381 39950.1125 4981.3664 8388.9182 957.8791 4846.5805 8212.8982 8096.0974 9317.8915 9508.8598 5346.0762 2728.6059 11359.4654 16318.0423 7932.2927 17738.8847 8979.5470 72732.8978 16368.6488 12893.1586 7003.4982 8620.4244 7936.2761 14247.0626 572.5346 9502.3697 11064.8870 14107.6010 14751.3341 5493.0658 2995.1380 2864.7152 6359.0237 7061.6526 7573.6615 8225.9742 1345.1176 2517.7583 6939.8627
1-Ethynylcyclohexanamine 120.4891 304.2144 377.9195 281.9233 308.5300 431.0241 749.5458 163.3448 353.9504 129.2339 305.9778 304.6638 797.5297 285.7675 848.0152 282.6990 171.6139 326.7843 244.0322 810.2892 262.3574 469.4345 941.0083 150.7452 449.1229 330.6529 272.0155 302.1002 566.9164 302.9726 280.4923 617.5002 110.4296 847.6311 306.0760 326.7117 285.5001 412.3071 107.8779 253.9244 271.9551 217.9537 253.0936 157.4939 894.5278 528.1072 507.0965 763.5104 272.9726 277.4155 288.7090
1-Heptanol 112635.2090 78288.2246 90860.2319 84988.3495 99197.7102 88438.2145 123793.4519 98458.1157 73976.8383 60536.9985 71666.2355 87646.9767 128933.9813 85044.6400 148392.1585 112160.5576 124115.5667 60912.5248 49248.9872 142923.2198 58072.8111 113169.4502 146190.5378 88365.3530 114210.1755 53578.5842 89901.5914 63613.5429 99407.5589 48098.0300 74930.0804 125149.6325 62317.2871 121775.1500 94765.3820 68805.2915 40768.6536 73837.0850 59589.5664 76768.3013 50269.0442 52909.5773 84928.0981 98288.4107 147569.2879 111399.6765 111921.3990 121834.4621 53239.3756 79149.5754 103056.8812
1-Hexadecyl-1H-indole-2_3-dione 1494.7826 2023.5317 969.3740 1411.8862 1208.6516 785.5739 1332.4458 1905.8402 876.9670 191.9707 1973.2589 446.6257 1675.2686 6377.1822 1553.9007 1270.4121 1282.7664 6635.7904 282.1797 125.8419 1506.7319 5268.4370 1096.8796 6109.7585 1340.3655 3293.4630 2449.9719 162.4329 1108.2051 2052.7295 661.6035 1471.3640 1922.0134 1031.1948 668.3139 527.2360 1033.5525 180.6850 1576.6902 1625.3721 1853.7837 1679.3402 1354.8267 1775.7353 1290.4465 599.3597 1108.0031 625.8000 686.0665 1043.1259 1778.0989
1-Hexanethiol 1347.6829 573.6449 521.9210 119.0460 1945.4738 798.7498 788.8422 1317.1278 527.0043 1079.1549 3778.0352 913.4987 960.4712 461.2222 862.7764 810.6459 545.3566 946.1132 2476.4617 1005.1477 1419.3510 920.4081 895.9103 1283.9135 3848.3035 260.9553 1001.6060 2092.8426 935.2328 636.1510 1030.7927 309.2694 1627.1021 1123.5769 416.5891 674.8375 764.8896 2333.6686 512.1388 1304.7988 1114.6376 1169.1194 269.7054 1013.8039 1012.5213 344.9585 1103.0216 703.3811 155.8853 940.3219 826.2440
1H-Indazole-3-carboxamide_N-[1-(aminocarbonyl)-2-methylpropyl]-1-(4-hydroxypentyl)- 978.1234 615.0350 671.7705 140.1242 445.9511 409.3918 971.9202 810.5731 1231.3023 3156.5721 603.6171 521.2167 256.8127 295.5453 736.1616 749.5697 709.1244 1599.3129 1655.5401 847.6316 1585.5541 1313.3373 1157.4740 591.2565 964.6167 1833.8610 405.3709 144.1111 545.0925 158.7026 251.2916 285.7309 896.6335 598.6803 486.1344 1064.6935 779.4770 552.3678 410.9334 642.7235 263.1774 470.2838 2081.5694 671.3248 786.5787 426.9783 271.8862 406.9651 476.8951 281.6476 741.6216
1H-Indazole-3-carboxamide_N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-1-(5-chloropentyl)- 969.6116 1421.4980 1429.9596 1531.4537 1373.8661 2138.2725 1212.1364 211.9134 1093.1510 1437.4687 1296.1847 2030.4989 1190.7285 152.1942 544.7281 1421.4253 248.5957 1856.9564 1483.6560 1122.6768 1409.1943 1234.5433 1246.7783 1587.9934 1341.4035 3186.2748 4299.0052 1193.0948 1604.7149 1668.5888 203.6772 1578.1447 1260.1486 1363.3242 775.7397 5585.2642 269.8682 2274.1822 1183.7545 1495.0879 1508.6398 1628.5493 506.4687 1824.3789 181.7934 1387.4457 1619.6780 1469.0373 856.9671 1428.7800 1171.8334
1H-Indole-3-carboxamide_1-(5-fluoropentyl)-N-(phenylmethyl)- 48461.6660 76536.0616 32060.4702 7797.6100 26160.9568 30884.3101 23213.8025 53534.0436 33067.2796 16267.3148 4443.3559 2859.5847 26117.6348 73843.2672 30272.0365 33634.3228 8433.3723 35169.6626 101234.1562 13633.9448 380801.3599 42699.9016 26179.3367 15464.2201 12660.5998 56001.5625 2320.0031 42573.7340 53662.2687 12016.1107 1971.0880 35016.2959 35841.0301 41029.4961 6359.4879 17029.1269 37050.3189 47296.2255 114725.3620 51455.7405 255592.0788 141844.0396 24866.5859 9082.6709 24687.7207 47421.9206 62766.3719 21317.8314 405256.1302 23448.9319 1821.5672
1-Methoxyphenanthrene 5159.9230 7861.4129 7900.8001 9090.7986 4649.6989 4635.5397 6332.4127 12244.2650 6926.6322 12163.1883 6129.6352 5783.8430 6655.0850 3572.8171 4394.2273 10352.7344 5263.1976 9251.5464 5366.0243 4964.4703 15935.3718 5695.5568 6602.4032 5005.9430 6886.6486 9079.5283 9825.9190 13902.5842 8416.9273 6576.7008 13745.0884 8688.6116 17842.2408 9155.0496 7477.9553 12344.9654 5546.0416 5591.6530 7266.7266 5472.9223 12585.3492 6318.2100 9815.0699 15975.5792 5964.8437 4959.1729 6070.1539 5219.5254 10090.7891 14055.6712 6342.7805
1-Methyl-3-[(E)-(4-oxo-3-prop-2-enyl-1_3-thiazolidin-2-ylidene)amino]thiourea 1053.1832 158.2986 761.2620 163.0523 613.6720 166.9913 829.0085 410.7102 844.6323 530.4698 495.8459 614.3214 1388.3866 594.7529 976.9135 848.0836 715.1470 373.9510 171.6440 1491.1935 462.3054 330.7165 611.6335 1461.2158 1407.6820 718.8953 181.0189 617.6288 1272.1246 595.8251 764.5432 1809.6116 513.9115 906.2291 1497.9275 888.4512 557.1051 644.3384 549.4598 657.1835 354.8234 583.7840 1116.3492 1572.7214 487.7356 1223.9158 1730.8072 1919.3696 435.7500 887.9937 184.8028
1-Methylphenanthrene 8689.2924 10401.2655 10427.4391 8666.4065 9271.7811 7655.5348 9833.5158 8776.8874 9795.9693 9987.0046 8346.2308 7528.7257 10640.7901 8876.0932 9621.8705 10546.7903 9822.7370 9580.1805 7848.3701 7794.3585 8877.2083 10012.8466 11324.8678 9532.8535 11272.0389 9728.5498 10182.7543 8659.5981 10521.6275 10170.9836 10094.3884 11070.3356 9275.7521 10173.8173 7684.8518 11356.3816 8276.2895 10030.1354 9702.5693 9496.5322 9532.8859 10051.5599 10455.4933 11373.1061 11290.3333 9236.7774 10087.2178 8752.9730 8236.1680 9643.7110 7584.2732
1-Monolinolenin 1540.5800 4860.9499 3519.0328 3744.9067 4260.8549 2466.7937 8876.0918 2932.8654 3519.9936 3578.6742 3160.8014 1956.2365 2114.1296 3100.1316 384.2331 1596.3340 2511.9045 3631.4746 2956.7990 5549.4088 1835.4251 4118.3971 5732.1165 172.2562 4072.1823 11080.8075 2329.9674 4081.8256 5035.7399 3816.2333 4518.4692 8733.3635 3584.7739 1559.4728 4826.0060 754.9104 3073.0073 1268.4163 2901.9500 2404.8019 5644.0842 183.1735 1189.0838 218.0725 14395.3396 10577.8528 4487.2911 11432.2511 10495.7222 4543.9746 4549.7777
1-Octadecanol 883.0294 2994.9147 1082.6144 1244.0165 2519.1143 1371.3961 1239.2031 2434.5303 1359.8290 2182.6648 5026.6376 1511.5232 2126.5203 3006.6321 1330.3080 1254.5245 1352.7980 2492.5098 3705.3659 1409.6076 2548.4437 2428.4919 1259.8353 3568.5121 5793.2477 591.3908 1796.6876 4671.5806 963.1056 1320.8595 1407.8779 587.8152 5696.9453 2103.9928 745.8662 2215.7692 3288.4140 3328.3230 5014.2774 3891.5081 3484.5883 4126.2686 652.5829 756.6622 1332.3559 770.4957 3735.1055 894.9442 1741.9010 784.2776 756.6937
1-Octadecyl lysophosphatidic acid 7240.8542 1273.9767 24900.6191 2989.3820 8235.0009 3353.4756 8409.2612 2149.0602 2821.0366 7705.0693 1213.6410 3308.1613 9149.4639 8472.8892 1669.5713 5249.6840 2884.3760 1145.5295 2006.7267 2318.7790 2701.2988 2117.5416 10524.5266 9167.0675 9418.7810 2050.6689 3944.8759 1604.2541 9942.8426 1429.1932 18362.2412 10651.0064 2030.6573 10255.9608 2352.1033 170.2115 2778.8694 1254.3239 5553.3284 602.9937 4270.8235 4609.2519 3380.0521 8260.6448 81199.4953 5374.5141 3874.2653 2714.0218 726.2526 3688.5865 3164.6247
1-Octen-3-OL 11267.5230 152322.9821 16961.3136 193783.2548 19264.4805 36843.0765 10184.1617 45758.0021 230359.3174 152343.5809 125681.1148 36185.1386 14852.5981 29529.9407 9893.5276 23277.6424 37513.1385 126046.9908 18605.0436 2162.2317 318776.0401 16760.4553 1831.6458 17808.8190 21189.4648 68963.8019 414026.0656 8881.7187 2848.8077 37799.8368 17664.6782 52546.7363 81060.7276 6085.2369 62669.5119 65606.1992 138140.2747 210878.3043 141996.2295 38605.7761 176068.6393 242951.3549 1139.7553 134728.9200 215293.7468 4132.4358 2623.9563 4222.5940 122799.8782 58450.4587 20120.2005
1-(Octylsulfinyl)ethylene 10313.5283 5276.3474 5898.5312 4963.6195 15182.7419 1295.9198 5238.3980 53152.3540 3136.7565 1490.2466 3014.8224 11219.3476 4399.7429 7161.5335 938.5919 6280.0947 5305.5442 4931.7537 1826.5906 9211.8790 4135.0281 3190.3769 6393.4133 8645.4065 6881.6376 9536.6642 2340.2603 5726.8344 8548.7957 4307.9647 7970.3975 7559.6077 4845.3990 13168.6125 7727.4266 4264.4174 5096.3836 3411.7748 1758.9418 2227.9718 6917.7817 5246.0613 1457.8172 6913.0458 5152.7691 403.3458 3983.5520 11055.3139 4596.4274 669.1983 3864.1225
1-O-Hexadecyl-2-O-methyl-sn-glyceryl-3-phosphorylcholine 5175.9880 5958.3540 7929.8383 3460.4211 4799.0210 5334.3284 6302.5887 37213.6634 117646.9714 18439.1399 47616.8571 3512.7372 4540.4559 107508.8881 5403.7693 13950.1537 5458.9258 147870.7012 34468.0897 5045.7642 12227.4436 3290.6590 5157.8738 4242.0075 3143.7718 374339.6557 15946.3821 77159.8397 10086.7570 179805.2033 125178.9188 188670.0899 10136.6303 19306.4784 30140.7082 243286.1989 29883.1354 8012.1090 4523.9068 172585.7163 11028.8054 5180.7362 8116.6700 13067.1519 6250.3745 6733.3257 6634.7947 5600.4093 47981.8724 29020.0881 36440.4746
1-Oleoyl-2-acetyl-sn-glycerol 12344.8942 18075.0154 22410.9796 11834.8416 19703.8476 16535.2099 19354.1521 18164.0507 20346.6878 15699.3890 14360.1201 18492.2072 18178.6963 20836.2661 19879.4921 21348.3930 19391.7429 21375.1642 17187.4479 20153.4171 17306.7022 18867.4980 21767.2312 19749.2852 21485.2239 19597.8068 15194.6147 16202.3542 12350.0384 19459.5129 17071.8614 21781.6333 21106.4391 22647.2367 19795.3803 10365.2361 17348.6845 20519.1559 20356.7177 10326.9156 16881.2569 17502.8054 16091.5078 13749.9560 16611.9285 20712.0981 24559.4772 19250.5220 15856.0518 23537.3846 17143.1599
1-Oleoyl-sn-glycero-3-phosphocholine 10519.8115 10501.9334 5053.0809 132.4223 8113.0283 256.6566 2216.3310 9299.2452 637.6199 1666.1768 8004.6825 2354.5619 63167.9874 137.5327 6910.6094 10100.1008 4376.4332 8173.1274 9691.9711 520.1800 9282.4678 39322.9197 625.0780 421.9533 8118.0675 37345.7237 981.3116 2021.9841 2636.4689 10000.3578 5870.6376 596.6306 4932.0554 8118.0578 7328.3315 2946.7973 123.8437 6764.6716 8912.1552 143.1558 8934.5260 453.2493 42963.0935 3196.0223 2422.3283 23126.8482 3131.2086 5859.9314 8013.9445 150.5672 1191.1536
1-Palmitoyl-sn-glycero-3-phosphocholine 8205.5902 5353.5116 1438.9093 7200.9047 397.9255 8663.1711 9151.6890 303.2954 2847.7196 602.4609 4237.0785 6902.5086 7654.3798 8625.4909 8626.0449 139.8163 3747.4093 762.3394 6987.1932 4738.6800 8833.7808 7041.0094 21192.4121 7024.9035 2375.8222 8618.1104 6364.2029 1203.9766 7594.9007 11910.3767 9881.5706 2040.0389 139.3286 1525.3006 1325.5791 4879.3625 7528.1257 979.2162 9079.9803 7647.9198 8325.0246 1702.4085 48650.4308 4441.0286 5696.9586 14083.5837 10691.9500 49906.5888 7836.4539 1687.0363 3916.3761
1-Phenyl-4-[4-(1H-pyrazol-1-yl)benzyl]piperazine 1600.6758 1367.1858 794.1138 1862.7248 426.9071 1141.1747 183.7457 2632.0776 92.1264 3045.7772 1337.5238 766.5675 1578.9588 4823.5083 841.5758 1491.7957 1446.5210 770.2325 2004.6106 293.9278 2331.2613 581.2525 378.8695 211.6425 1380.0316 752.5440 1316.4713 994.7053 2148.2096 625.1599 1762.9777 2074.3948 4295.6991 1215.4906 1692.6306 2045.9327 2541.3237 2233.1386 1697.5721 1764.3457 957.5698 1517.5653 8591.5064 1478.2449 979.5362 1170.5724 800.8496 439.5838 1761.3728 1464.6037 2199.8179
1-piperidin-2-ylpropan-1-ol 2468.8308 559.3909 2983.3067 1737.3898 4568.8944 194.6991 4145.4746 1470.0522 3620.1265 4149.5555 2886.9542 4264.6538 446.9281 18244.7697 3851.0901 3317.8635 4531.7549 4247.5266 11119.9496 3391.1642 955.0355 3762.3710 1651.7267 3729.4823 4837.6439 3747.5152 907.0251 4890.2199 1475.1340 8658.0993 4346.3725 784.1880 1125.1365 4791.8423 3622.6666 1126.3731 1265.1688 3826.9633 5871.0814 4568.3782 13533.1356 4701.0570 4778.5228 13484.6827 9553.3891 3573.0741 3539.8674 1045.7486 499.5513 4521.7523 2362.3203
1-Pyrrolidinecarboxylic acid_3-amino-4-fluoro-_1_1-dimethylethyl ester_(3R_4S)-rel- 9791.9231 9458.0470 10358.6265 9152.6018 10168.3335 9354.7447 12236.0813 11121.5238 9671.2282 9497.9833 10495.2158 6517.5114 11596.4888 9575.0870 12204.4775 11199.0898 10222.2696 9490.2747 7950.9234 9730.4205 9170.2790 10797.9003 11836.9078 10855.8049 14109.9500 11957.7482 12590.0106 10692.2536 13489.4649 5222.3696 12292.7082 15262.9621 8988.3839 14813.2026 12005.2777 12806.0449 10054.7756 10592.0393 10214.0192 11181.2210 9776.8955 10556.5824 14942.9456 15370.9183 13209.0080 11283.3336 11977.5439 11773.9324 8771.2180 11121.5411 12289.6412
[(1R_2R_5R_9S_17S)-6-Oxo-7_13-diazatetracyclo[7.7.1.02_7.013_17]heptadecan-5-yl] acetate 13244.2775 15444.5015 11687.9108 12475.8296 13151.1991 10340.5469 10619.8585 12214.9501 10589.5919 13229.7474 12522.7825 13286.9753 10940.9341 16101.2415 9322.7614 9550.6340 12828.0179 11066.6114 15101.4792 10238.6581 18566.8794 8810.9028 9423.9840 3150.9903 2135.8207 12055.7824 8969.1677 12298.1171 11227.7548 12946.4404 14108.2724 10458.2301 15347.6932 3589.7652 8419.7413 2713.0011 14096.0846 15202.0507 41865.4707 23295.6617 36852.4770 19290.5742 15668.1375 23350.7650 11231.0286 10171.2863 12005.0732 9377.4639 17077.8929 1363.3776 10905.6234
(1R_3aS_5aR_5bR_7aR_9S_11aR_11bR_13aR_13bR)-9-hydroxy-5a_5b_8_8_11a-pentamethyl-1-prop-1-en-2-yl-1_2_3_4_5_6_7_7a_9_10_11_11b_12_13_13a_13b-hexadecahydrocyclopenta[a]chrysene-3a-carbaldehyde 185423.8787 5019.4310 444230.0441 8776.4877 287721.9023 240158.3703 238056.7147 218427.1914 202208.9070 3249.6130 7992.3365 247358.1278 2755.6731 4182.4347 324409.2862 287099.3434 147321.0662 127489.8710 1662.5005 178508.5353 10226.6678 228709.0800 246165.4338 9625.9777 199523.9234 2603653.7980 3012.4441 2928.3309 41130.8356 10564.2635 1618.1767 249542.0401 143085.4144 264478.2875 181470.4565 8367.4634 200658.3926 2352505.0190 10671.4834 3833.2525 43979.3365 4699.6684 2853.0672 533602.2589 379358.3453 274024.3224 209087.5869 194141.8590 159101.0111 1555.0196 260483.5166
[(1R_3S_3Ar_4S_8S_8aS)-3-acetyloxy-1-hydroxy-3a_6-dimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-1-propan-2-yl-2_3_4_7_8_8a-hexahydroazulen-4-yl] benzoate 772.9749 6941.9177 2116.0527 8101.3426 927.9438 1968.9100 3156.0994 5793.9805 84754.5956 8843.2802 22715.0863 333.0152 6053.1504 1072.6295 5751.1865 2241.9720 1068.3421 65897.8494 16483.6917 5219.0025 2327.3559 6733.9638 81.2828 8601.7960 8218.7773 64335.9940 1592.5332 8032.9089 2050.7163 4066.6942 1126.8305 2758.1590 740.3335 1628.6493 4237.0961 93918.8866 6580.2560 1927.0614 538.0987 1605.2352 817.0288 1551.9324 1382.5133 4147.6522 2964.4175 3330.5836 4209.2039 4762.8564 10946.9488 86.3059 21648.1866
(1R_4S_4As_5S_6S_8aR)-4-(hydroxymethyl)-8a-methyl-6-propan-2-yl-1_2_3_4a_5_6_7_8-octahydronaphthalene-1_4_5-triol 3782.2176 29472.6976 19267.0880 17772.1171 7438.9933 17391.4022 7986.8013 6308.5137 1061.8978 18270.2068 20868.3796 4283.5546 11319.1164 3677.9067 881.7830 601.4734 992.7262 10404.5980 2100.2601 1957.2906 8003.2690 9132.3436 8908.9030 3789.8158 468.8856 46412.2858 24016.8027 4806.3254 13569.6732 19856.4393 12835.2119 14134.0996 15601.7171 4688.8114 11498.0023 9314.3579 92790.1884 12210.7810 18874.1654 7383.8616 1829.2104 6288.7471 5710.3136 32552.8107 8439.4976 903.4250 34339.7132 6783.5220 13393.8808 7496.4913 6847.9840
(1R_8R)-3_3-dimethyl-10_13-dioxo-11-oxatricyclo[6.5.0.01_5]tridec-6-ene-7-carboxylate 108.0132 2160.3001 942.9064 1094.4490 1411.5673 295.1560 128.7678 1058.3527 846.8855 1277.8654 938.6999 2112.5274 901.0159 1148.4556 818.8479 759.2242 613.4900 749.0893 951.4492 887.2048 6923.0553 433.7252 1090.8024 1548.7795 1497.7528 366.6890 364.5025 139.6109 587.4738 1920.7729 1048.3652 704.2810 136.5135 601.7706 801.4743 166.0206 1116.6852 592.2121 938.3978 1996.6662 4299.2326 391.5199 1101.7611 1398.3158 2003.3262 523.8080 132.9860 1521.5272 3123.1923 1150.7945 592.6525
[(1S_2S_3S_10S_13S_15R)-2-Hydroxy-15-methyl-11-oxo-6-azatetracyclo[8.6.0.01_6.02_13]hexadecan-3-yl] acetate 2072.6609 3869.7900 946.0854 1136.2099 1143.1260 2068.0001 2958.9387 1204.7391 2221.4811 3188.9226 1232.8875 1606.4332 1878.7370 1745.0988 115.9742 1403.7791 1624.4702 113.3181 1176.3431 4130.1092 338.8543 945.3075 3575.7891 3466.7250 4231.0337 4005.3926 1062.7276 3227.8130 2977.2902 136.5943 5026.2710 1262.5170 1983.5377 808.5953 991.9528 1871.4689 1730.7876 1978.1665 930.5540 1342.1630 628.4331 1161.0054 794.8833 349.4157 123.1961 1203.0333 5889.1888 7491.9388 1450.2195 427.5934 2083.1511
(1S_2S_3S)-1-(5-Methylpyrazin-2-yl)butane-1_2_3_4-tetrol 4674.6495 2002.3648 4815.9238 8021.1104 4131.8432 5145.8221 2177.0531 1283.8388 577.6592 4485.0532 1398.4084 2308.7904 2670.5855 304.3940 223.4350 5869.4687 481.4650 729.8012 275.5649 2554.9955 5120.6010 627.4806 2886.4844 5351.7841 3337.6594 3730.6060 4387.6888 3463.2646 4446.8919 5977.3795 7614.5516 3665.1605 7831.5151 3188.3182 2334.8066 4408.8825 4598.8336 6382.4424 6286.0511 1628.8391 3014.7153 560.0482 1875.8416 1165.8705 2370.2540 3413.1661 1469.5977 210.5855 3577.4324 3196.0153 903.6390
[(1S_2S_3S_5S_8S_10S_14S)-2_5_10-Triacetyloxy-8_12_15_15-tetramethyl-4-methylidene-14-tricyclo[9.3.1.03_8]pentadec-11-enyl] (2S)-2-methylbutanoate 11256.6989 6825.7509 10119.1014 1855.4731 9899.2104 6784.1847 7697.1859 7672.8568 1098.1810 9132.3287 3740.2697 9434.1512 11527.6328 14613.6735 166.3154 6096.5435 6757.8225 5038.9268 5409.7714 6490.1095 33281.3111 7096.2128 5029.8789 12261.7620 10637.5118 13524.4857 3352.6981 1295.6241 10105.8439 2489.7117 14597.4839 11124.0570 6192.1447 11399.5979 5945.7131 50154.6343 15921.1721 11339.2425 58234.4702 46082.6276 5094.3901 4863.8987 12608.6773 2201.6564 6910.8663 9252.1943 12037.2341 6447.5106 9604.3854 154.1824 1225.9413
(1S_2S_4R_8R)-p-Menthane-1_2_8_9-tetrol 6332.9666 9906.7743 10770.2725 10305.5025 9638.6855 9612.3142 11460.5885 11226.9054 8513.4481 10055.0627 9131.1075 11062.0800 9487.1127 5133.0914 12377.1075 11093.9967 12891.1941 11127.8384 8377.3406 12229.0752 9277.5797 12443.3665 12684.1028 8834.6051 11796.8623 6444.5437 10525.9515 6349.9815 8652.8996 7140.4558 6993.5201 13290.1587 8793.6708 12243.1483 12036.6437 9970.1730 6553.6675 9720.1182 8265.3888 9402.4852 6256.0910 8911.2130 10748.9068 10139.9101 14243.5572 10950.0670 9033.6359 11112.4748 8917.4589 8554.8621 13023.6975
[(1S_3R_5R_7Ar)-7-(hydroxymethyl)-3_5-dimethoxy-1-(3-methylbutanoyloxy)-1_3_5_7a-tetrahydrocyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate 2390.1709 977.4589 3032.4315 6644.1500 860.6681 159.7969 7531.6076 1487.2411 1657.4553 1853.7777 11500.0429 6274.8292 4776.5074 3158.4928 6473.2748 7776.8470 5712.7685 21552.5769 2891.5554 6527.4691 4794.1535 19038.0785 4623.0191 6155.9280 7325.5552 16787.6493 4873.5966 4213.1359 9034.5267 4516.5041 849.3098 1503.7302 3912.8724 770.0037 53513.6332 7867.2035 3540.9924 6310.1728 641.3131 204.8993 4150.4247 6405.0456 5475.5758 2021.1883 8905.7146 6531.9900 14265.6431 8409.9245 161.2703 4638.9046 8442.2945
[(1S_4R_5S_6S)-4_5_6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]-[(1S_2S_3S_4R_5R)-2_3_4-trihydroxy-5-(hydroxymethyl)cyclohexyl]azanium 860.9727 3979.7468 1428.7773 376.7955 5087.2006 3640.1240 1460.7433 4051.9163 3986.8428 1683.2590 2582.5992 912.3411 584.3562 6812.0264 2026.0178 2197.2017 1761.5362 2597.6114 2380.3472 784.2770 5358.6667 3393.5322 479.3271 11195.2731 177.3787 721.1359 187.2410 4384.8487 3661.8004 9721.9177 9154.1354 2464.4102 7594.7758 2428.3173 1191.4416 2854.9110 2097.5599 7391.7311 1284.2179 3218.9466 4663.8580 3362.6771 3294.1643 2566.4019 1968.1149 7382.7698 5838.4335 3295.8244 4020.8834 1415.8685 763.8281
(1S_4S_4Ar_8aS)-6-[[(4aS_9S_10aS)-6-hydroxy-1_1_4a-trimethyl-7-propan-2-yl-2_3_4_9_10_10a-hexahydrophenanthren-9-yl]methyl]-1-methyl-4-propan-2-yl-2_3_4_4a_7_8-hexahydronaphthalene-1_8a-diol 4386.3033 4671.6084 2713.1061 5852.4902 4997.9110 4575.8300 5088.9970 4178.8308 4256.2284 4969.4712 3681.2757 2952.0059 4593.1381 3433.7032 2357.3016 2601.5257 3930.2758 4710.4097 2679.9139 4214.4869 2887.1528 6010.0332 4811.7183 4580.9717 4368.2261 4459.7624 2342.7315 2711.0197 5994.4772 2923.5953 2591.8843 5244.6863 3304.7029 5276.8988 2787.2470 6197.0577 4061.3232 5132.5120 2825.2371 3894.9740 3618.9452 3597.9554 5607.3152 2733.7151 4508.5544 2648.9876 3214.3806 4717.7493 2483.2792 2953.3715 2790.9191
2-(1^_2^_3^_4^-Tetrahydroxybutyl)quinoxaline 1260.0361 2621.7202 895.7051 1073.7439 156.8923 805.1478 1126.7770 667.4589 575.1341 639.8942 898.6383 1118.2931 1959.5833 1428.5379 857.0276 1088.8296 881.8321 190.7678 1166.3344 1004.6625 1271.0820 993.9586 1155.1087 2243.6476 979.3166 2114.1777 198.9331 728.4088 1361.8743 2881.7242 1286.2252 1182.0411 623.7401 3781.8395 1126.8120 1482.0159 2667.8231 1067.8528 948.6718 156.5318 2564.3132 388.6441 534.5521 826.4587 960.7114 186.5961 1213.0714 993.6627 1407.9757 182.0406 1085.1737
2_1_3-Benzothiadiazole-4-carbaldehyde 7054.9434 8341.2393 8727.4375 8341.8826 8138.1995 8204.7313 9028.4764 8518.3182 7671.0749 8123.0323 8057.3202 6782.1122 8127.8991 8024.0286 8390.0511 8654.9367 7734.0927 7997.0555 6222.3284 7448.5181 8241.5479 8480.3412 8899.2454 9143.9074 10203.4489 8565.6351 8299.0778 8525.0388 8617.8485 8828.3187 10239.0420 9650.5711 10036.4091 9968.6195 8856.3546 8763.5048 8147.4980 8049.3281 8438.9471 8521.0787 7657.6862 7982.5657 7864.9860 9303.7643 8159.6922 8863.1850 8389.7053 9025.0205 9864.4020 8298.0952 9494.1649
21-Hydroxyprogesterone 52787.8222 5529.8240 47340.9125 45542.0203 33810.2420 40259.8184 38553.7928 1838.0828 37907.3602 19446.9674 24407.8849 15186.2437 37057.7809 53585.3464 23925.5004 36535.1480 2796.2979 13281.6549 43341.7757 15605.2852 493728.8636 32619.5941 46393.1067 5765.6867 10840.8786 51253.3732 116201.0569 47805.2633 49061.7955 13340.0339 70981.7308 50003.2050 16978.0420 901.1402 34510.7048 5394.2756 18594.8741 49932.4079 69847.7485 139555.2626 61182.4467 210968.0037 95646.0961 25906.3076 19528.5612 51362.3129 54485.2841 29085.7487 283417.6010 45399.1865 6572.1889
2-(1-Piperazinyl)acetamide 1571.3649 16019.2075 2279.8449 10129.6233 5975.1217 5243.3733 1614.4354 9735.4692 8427.7493 10915.3740 15373.6217 22343.7834 5906.9937 20231.6106 982.3868 10786.9014 794.1884 10095.6710 15718.6804 8414.9453 18520.2540 1004.6042 3749.7318 20826.6148 10081.2522 7770.1123 10083.0309 25018.1685 11958.2554 46265.0022 6583.0212 9576.0459 15612.0212 12517.9534 6529.9608 13807.6229 19082.4669 11110.8876 22874.1538 15352.8581 19161.8624 8613.0671 14661.1440 11645.7697 2906.5540 7701.6159 13668.2906 3928.7081 15406.5257 14966.5004 1578.1261
2-(1-Piperidinyl)-1H-benzimidazole 1691.1192 2898.1945 4089.0174 15004.2947 6890.1972 1495.5774 906.0612 11583.9729 2622.4826 14674.9858 24800.8223 7160.1310 1466.9024 15782.1341 36294.5420 2964.5973 3269.5842 6679.1914 11746.7595 9105.7231 29278.0658 351.8810 585.2879 6054.4102 8947.4383 505.3346 7357.0203 1438.3032 744.9057 51621.8043 215.3857 10771.9997 12403.9629 680.8187 206.0254 15122.1426 22452.5448 7200.2034 16490.7469 4372.1119 52778.1594 81246.4700 2166.5136 8843.5176 935.0608 2849.6617 2542.5021 6893.6711 7869.1299 4260.3420 5343.3550
2_2^_2^^-(1_3_5-Triazinane-1_3_5-triyl)tris(ethan-1-ol) 2809.7526 2618.5628 2019.5147 2753.6941 2091.1495 2390.0135 2016.5947 2775.2333 1949.7643 2804.5761 3021.7895 2712.5510 421.0110 3220.0531 384.0013 2490.2035 2147.4094 2095.4543 4078.0942 1758.9957 11189.4289 2286.8768 1882.1497 373.2087 2353.9710 2491.3406 5171.4675 2520.5047 2688.1887 1924.2731 2746.6585 2073.9250 5711.9248 3185.1456 2215.5745 454.5188 2573.2699 3671.2530 5746.7368 4465.7442 1839.1800 3845.0827 2367.5379 888.0391 1968.8190 2682.7517 2943.4344 1895.2166 9349.7047 2388.4270 2226.4363
2_2^-(2-Hydroxyethylazanediyl)diacetic acid 1891.3360 4305.1479 1217.0822 2292.6648 763.8111 1038.4753 3022.7737 1821.7972 706.5573 2053.9407 1910.6162 706.5225 5631.0289 2436.6076 2272.1934 1030.9864 1153.3155 2020.6815 1068.5151 2443.3206 1773.9759 2438.7518 2008.6812 4199.2257 1943.7524 2199.7818 2822.3641 1194.4880 274.3668 2869.8387 2021.9342 2435.9618 658.1156 2643.7625 261.9288 1829.9013 1457.3911 1659.3722 620.2911 1907.8897 2062.9342 1100.7115 2329.0059 2115.6283 2611.1243 3552.2838 10741.3275 2471.7041 1445.2157 301.1354 2266.7228
2_2^_3_4_4^_5^_6-Heptabromodiphenyl ether 2068.3499 18515.0594 11026.6056 20744.0743 2947.3618 345.0502 4063.4575 14154.8360 79716.8097 38623.0604 27037.4029 839.7045 75.2360 3663.7379 12643.8147 4446.8872 4575.1734 111101.9147 65702.7086 4370.4861 381.2612 18952.2265 352.8218 20897.6928 19748.2367 95953.5277 814.6083 42798.3167 6548.5031 14658.3566 4213.8709 400.3541 16464.6210 8646.3723 21996.3145 74963.0401 15643.3231 4335.3986 1067.3720 2982.0968 850.9104 3018.1843 2087.2588 26411.2516 5281.7761 5015.1969 1994.4729 238.2315 19871.1190 72.5729 18616.5337
2_2_5_7_8-Pentamethyl-6-hydroxychroman 377.4949 9090.3848 3905.3879 3679.9211 7365.3400 19073.9457 1852.5793 5170.3623 3362.4761 5067.0208 17458.1401 11354.4895 5364.4461 57686.4390 1155.5912 2468.4189 5058.4188 17668.1865 5464.6974 18261.3437 4659.7423 12394.5731 888.3531 5226.1054 9218.4982 2589.9898 4521.4955 1975.2680 11758.6003 1764.9562 11703.6868 5302.6860 7225.0808 1181.5582 6222.4110 1440.6327 3166.2520 1365.3910 4832.0313 3870.6796 3330.4467 2406.2335 4761.9612 3108.9544 4726.2336 21809.3961 41922.3714 4333.7366 5099.6638 12318.9768 10730.9227
2-[[2-azaniumyl-3-(4-hydroxy-1-oxononan-3-yl)sulfanylpropanoyl]amino]acetate 8376.3929 8640.8677 140992.0033 8455.0908 14627.0549 37877.1351 4210.0935 1042.4264 878.3220 6367.0725 8864.7886 30186.2724 8581.9062 13339.9374 14369.1631 841.5225 129.0030 5645.4017 1001.0113 10876.5822 3348.3593 963.9721 5456.5413 472.5539 838.0684 13939.6704 1053.3306 152.6274 14562.7049 688.4757 361.4798 1212.1823 735.4391 11769.6191 11081.2437 438.6400 712.4456 129.8050 6457.5000 3588.5441 720.6610 10601.9765 159.7570 1823.9960 18322.9655 11223.9832 12628.9011 1163.5541 270.3834 116.6549 151.3277
2_2-Dichloroacetaldehyde 84083.2401 22182.5148 35038.3385 78296.1219 76586.6378 79175.8087 78658.8917 78236.1549 55133.6990 52135.4261 75672.0309 46199.7256 52537.8159 76632.8627 44088.1507 55935.5139 59058.0728 61534.4929 56652.9504 31991.8741 83782.8340 54865.2164 60914.5765 21217.7497 79950.4334 57257.1454 56303.9053 54160.7058 53101.8239 77762.9032 76438.2831 53810.6438 52068.3994 78386.2820 64786.6458 14157.3708 78418.6114 54504.3018 56480.6926 49164.7352 47250.0836 48882.4172 16447.7695 22652.0477 53361.5514 56089.5609 81448.9765 79129.9560 78012.7535 48514.3271 53880.9761
2-(2-Methylaminoethyl)pyridine 30192.8665 12095.1849 8258.9044 11777.6462 15277.2589 3425.6771 3486.9608 18609.4747 25349.8820 14371.0161 10427.9511 7642.9290 20800.9029 4255.3277 18480.9844 34916.0508 14125.7836 14919.8475 14746.4999 14379.6982 13275.9510 18427.0889 5184.9553 50895.1985 36732.7892 46034.7405 24653.2759 12749.9549 54776.0183 6328.4199 11303.9668 43974.3473 13437.8421 4932.2777 17597.2401 20346.1892 6022.8054 24261.4443 11826.4774 12701.6071 16834.2433 9509.3102 14545.7368 20471.6633 12282.2803 31649.0296 23787.3561 10930.8296 12105.6518 27993.9847 7065.4821
(2-{[3-(3_4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]oxy}ethyl)trimethylazanium 8591.1056 9868.0961 5153.0121 13171.7784 7920.7716 8093.1178 8610.7703 14890.7733 10135.8640 7069.0188 11149.7406 7443.3696 9481.9202 9702.9143 6580.3580 18299.7588 5687.8538 9881.4329 7594.8708 8892.0131 12423.2092 7726.4367 8281.1445 5248.3040 8462.8749 13472.3289 9735.4975 28837.1532 11076.9582 10083.4313 34729.5578 12048.4119 9923.7455 12332.8460 8505.9205 16276.2974 11501.2619 7665.1025 9372.8739 11512.8617 14512.1564 6632.6927 9691.4493 13466.7082 9804.1778 6004.2233 9624.7511 8444.1779 13438.7010 12409.8133 8870.7662
(2_3_4_5-tetrahydroxy-6-oxo-7-phosphonatooxyheptyl) phosphate 1252.1948 1268.1243 3944.9273 1737.9960 3702.2418 3537.7865 1387.8127 5123.5637 3344.2336 556.8919 716.5169 3190.6396 3109.9587 783.1750 1972.2950 1590.4552 1376.1854 2761.1764 1467.5786 69.7930 799.1669 2803.7804 4541.6126 403.2021 1337.6833 1607.1295 2137.4497 2367.9971 1146.4723 1445.4432 1335.0005 4394.3957 3887.9656 2883.1590 2057.6897 3499.5046 730.3708 1135.9235 1670.1339 1995.5896 972.9474 455.2868 1131.8711 2814.0128 1758.1491 202.9691 2530.1638 353.9012 2894.6306 1497.5599 2038.8521
2_3_4-Pentanetrione_3-[(4-nitrophenyl)hydrazone] 661.7435 1594.7979 2525.6116 1191.1080 1993.2283 2457.1948 2857.3563 1487.7877 1459.9246 1329.5462 1294.4542 310.6249 2024.1078 1336.2360 2421.3603 1637.3236 1930.6092 1286.9407 790.6041 3282.0821 1455.8844 2256.7600 2466.8761 829.6076 2034.3415 1496.2749 161.2864 1600.2983 2116.6625 1413.2053 1851.5733 2231.9251 1296.6126 2920.1659 1565.7292 1208.4622 186.0017 1489.6968 1256.7342 1188.9980 1979.3930 1180.3488 1511.9404 1309.0344 2429.9419 3400.4360 3281.9092 3194.9140 1202.7827 1439.6794 2545.3486
2_3^_5-Trichlorobiphenyl 259148.3193 271551.7527 262053.9133 280256.8541 263500.2459 269091.9549 261040.0154 274003.6545 276578.9564 276699.7267 275094.4007 265167.5406 273121.7288 262302.5623 265577.5140 289124.8850 264023.3270 273907.8014 268191.2697 267045.4455 267036.4573 264003.9937 278340.8314 288030.8228 281033.6833 279075.9016 277633.7407 286900.3157 277082.4837 278649.6897 273299.0243 265188.6453 280997.0332 267507.5445 283141.4810 276661.2260 285222.4539 265572.1038 282144.8650 266884.2429 273599.1290 279413.3086 271370.2187 279941.7066 273313.6892 286548.9829 284968.8233 278990.3672 284723.4386 273619.7535 276552.7676
2_3-Butanediol glucoside 7152.0716 9298.6145 8831.1368 10260.3514 5658.6477 5276.7719 5887.8493 12015.5836 8918.3481 5952.5781 8302.5309 5972.4662 9041.9839 7817.0182 5253.8369 9568.7951 5685.2898 9101.4398 7757.0930 6887.1248 13002.0889 6178.5449 7282.0275 5028.7419 7494.8893 10083.5562 8566.6803 23904.4605 7438.0663 7619.1530 28591.5413 10033.1016 17360.1293 9737.1789 6469.4369 13839.9374 6967.6462 5289.1434 8453.5427 8683.3637 13923.5725 7558.5969 9412.2469 10650.0729 7751.4069 4836.7896 7711.6688 7285.4528 12094.9808 12004.3053 7473.2848
2_3-Dihydrobenzofuran 55807.8745 31205.1819 60160.5975 30277.9812 29813.3482 34865.7835 51136.3758 36883.3780 34271.4209 27388.4928 27547.9370 23373.2905 35351.8905 20895.7124 34930.4748 67844.4011 25170.4230 26765.9196 25686.2948 62796.4359 44383.1833 30760.7737 43943.9121 59801.7490 51563.3112 81047.3041 35141.1210 27844.2269 86171.1164 31491.4784 33860.6497 72594.7729 40094.2668 25569.5673 70652.8408 47889.4538 20279.9392 54092.4404 33450.4793 28918.3600 50876.6857 29573.7975 38985.7337 44152.5712 29917.8723 52571.8280 130504.8616 130076.1970 27627.3788 39946.0176 22447.6475
2-[3-[(E)-6-Acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-6-(carboxymethyl)-2-hydroxy-3a_5a_9b-trimethyl-5-oxo-2_3_4_6_9_9a-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid 7353.6053 20339.3716 14767.9372 16521.5324 20520.0480 14567.3394 18410.6669 15680.8893 78806.7337 21562.9681 19342.9949 17561.2640 14967.6032 34822.8602 15427.1611 6673.3024 14898.0804 29676.6569 25900.6965 3781.6731 20213.4033 21969.2252 23944.6258 26650.5695 20610.4995 1525.2147 17094.0080 34117.0006 29545.7558 3918.4031 17332.4834 31631.1721 7893.2619 22277.7667 20075.7435 35339.0544 26402.9406 36138.5298 20865.3287 19938.9251 22256.0266 23110.4620 21404.7544 17931.8927 10605.1069 34350.9123 27050.7301 29774.8226 22989.2527 20767.1923 4225.7263
2_4_5-tris(hydroxymethyl)pyridin-3-ol 1405.4637 907.7453 1107.6448 7642.3580 3260.7843 544.0751 1087.4297 4059.3774 7270.2951 1296.1377 5955.1883 1457.7047 2485.9293 3984.6947 4385.7249 4749.4502 3078.0834 3838.7798 4592.1521 3382.7927 5052.0542 3640.9500 646.3261 11998.3977 21178.6029 4097.5965 3690.3689 2149.5712 5892.2123 1877.1751 3882.7034 1020.5334 11479.2028 2613.9017 1143.5583 3891.5347 1219.7586 777.5379 13453.9531 1956.3490 2746.9274 8043.3531 3189.8774 12306.4826 4475.2378 5072.1019 4723.1229 3933.5831 4348.8656 651.5790 3649.8514
2_4_6-Tris(4-morpholinylmethyl)phenol 1843.5200 2260.6846 3178.2761 1216.8362 2208.9688 1990.1099 397.4910 1144.5149 3980.3518 2105.3682 2761.9036 2680.6519 4558.5099 2755.9826 3561.8665 1983.6157 1632.8442 4060.1359 774.0916 4054.5999 1300.1352 2775.5157 2173.1072 2409.2794 1947.0438 1330.3896 3615.0118 977.0675 1613.0358 3127.5647 743.9009 1714.2984 1376.6128 2030.1004 2102.3101 5029.7710 1340.9342 1444.9558 1268.0012 2009.0383 1840.6486 1282.6036 653.5702 706.1123 492.2325 1438.1947 4216.3196 5275.7851 2344.3505 520.8656 3759.6273
2_4-Dimethyl-6-(1-phenylethyl)phenol 633.7926 13969.2901 2444.7761 8448.4643 6700.7911 880.6258 5051.7313 3132.0537 11706.6992 6069.4438 288.3358 4669.0303 5225.1795 3110.4048 2220.6170 10796.4312 8238.9941 8848.5945 2640.9639 3958.4531 16286.6082 5718.7156 462.0157 8999.0258 8239.4310 8677.7027 9722.4686 118.1568 1720.9438 62978.0862 290.1315 7758.8132 4832.7849 1303.0684 5993.2479 2880.2979 28264.9394 10126.6373 15599.1766 11504.8276 26572.3198 8228.0010 9574.3121 110.9305 4993.5601 1871.5423 1364.5027 4064.0913 13736.2413 8123.4798 628.8358
2_4-Di-tert-butylphenol 43550.0184 543.5916 397.5528 915.9981 1546.0259 3112.9777 2946.9605 12408.9204 1802.8731 438.6314 1638.3838 528.0263 77.0990 144.5988 521.3924 2536.8043 2614.5963 1506.5744 20539.7654 3447.7732 6753.5284 2919.0516 3830.6027 3520.7418 463.1024 6966.0806 5932.6142 4882.1418 1255.4024 10219.3572 1265.4007 408.2232 8415.3106 1622.2118 4566.3518 2617.3025 481.7482 1092.0140 14288.0104 32184.6113 10584.0668 1469.3241 31584.7015 572.8901 372.7484 544.1809 7429.1028 3700.6360 25383.2929 10869.7533 1091.4190
2-(4-Methyl-1-piperazinyl)aniline 653.1712 11175.4809 5475.0284 16004.9546 1341.9006 7717.1667 1031.5744 9479.0097 4768.9265 4481.2223 4087.0836 5433.5901 4088.1669 4979.4322 4252.9414 479.2379 4852.6727 4715.9981 1930.0993 3999.1128 5626.8812 5096.4277 571.5408 5598.9316 6196.8120 1027.4294 12347.1383 5033.1616 14661.2191 5176.0318 5102.5179 7401.4311 8812.2263 4701.3783 4810.5455 4127.1023 5654.4941 6562.4619 5668.5468 4195.5474 5420.1262 4160.8791 3493.6343 9021.5465 4320.9796 1577.4218 4903.8015 3789.5337 6075.2240 234.2229 5017.3758
2-(4-Methylbicyclo[2.2.2]oct-1-yl)-1-phenylethanone 20374.7873 11440.4142 7749.3103 9162.9096 15128.0530 6441.2375 4197.5386 4907.5495 9672.8895 12231.0567 5881.1089 13345.8242 1185.6531 10617.3529 5177.2737 10792.0999 334.5842 1318.6176 3168.7772 9111.0067 6706.5625 17702.4102 1424.9348 6669.2156 8758.6659 9586.5455 6514.3681 8610.1274 14821.6853 2075.0878 11213.0977 13374.9932 7425.4251 6512.3682 49367.8253 6916.2437 1243.2862 7703.2668 5504.5993 1349.1159 5738.0504 4552.1519 5018.5403 2576.3426 14186.9064 4183.0226 4848.9155 8279.8512 769.9011 3301.3659 9137.3464
2-(4-Morpholinyl)ethyl 2_4-dihydroxybenzoate 4491.7880 275.3774 1917.5629 860.3098 5665.0248 5481.7066 2986.8726 3334.2323 9721.6751 3435.0985 6864.8965 12542.1180 3484.1611 5534.4093 576.8598 1215.2591 4214.9486 2941.4644 3420.5262 2128.8775 3016.4469 3500.2837 2013.6598 3527.0822 3743.4882 4552.8366 337.6991 2232.3173 3603.0255 12851.0836 3726.2309 4437.0016 204.4164 3938.3736 5871.1752 3299.2131 265.1226 3312.5651 3902.9670 736.8865 3419.6793 3254.3861 226.4583 2925.3908 3694.8781 4007.4654 917.3430 8964.5709 942.0441 3687.3917 5094.0310
2_4-Quinazolinediamine_N2_N4-bis(phenylmethyl)- 2330.0496 3230.5711 2233.1824 3062.9954 2491.8059 2199.6581 2511.3184 5219.5395 3258.4593 2313.2065 3822.8174 2698.9977 3031.3986 5162.2488 1764.3891 3257.7632 1837.2897 4047.1840 4218.1326 2436.5113 3816.8422 1972.9054 2659.7613 2041.2265 2221.2859 6696.0466 3215.2107 10850.3398 3389.7553 4709.3204 17505.2779 7663.0403 4383.2574 3967.3200 2986.8535 6196.7128 4657.4745 2157.0447 3524.5034 7675.1412 5272.7467 2093.1595 4013.0925 4555.7836 2642.5975 1628.0690 3282.0514 2670.9777 4749.8585 4199.7310 3365.6599
2-(4-tert-Butylphenoxy)ethanamine 628.5683 1455.2573 10301.1516 55425.8485 3512.0167 7606.6536 2492.5764 3349.7715 22101.4041 12717.8119 9183.0969 8177.6187 7582.7266 264.8499 8004.6940 8970.2890 13150.1282 13397.4187 6568.3726 10990.7742 905.3344 10070.9901 10238.9703 9382.4613 207.8993 11869.7636 8343.3529 10861.9591 10379.3658 1940.7547 13156.9885 445.2776 25870.3934 9296.5231 10206.9291 12672.3110 834.4967 37596.0004 363.0009 4535.1339 22742.9112 2803.6167 10131.9122 1318.4135 8555.3394 12595.5607 8903.8754 7552.9647 8918.4063 5576.7435 11014.7498
2_5-Dimethylfuran 12710.1807 6487.7863 2797.7923 7399.4460 6077.5853 4132.4121 5121.2745 10173.0949 10635.8797 5408.8173 4581.2223 5057.1211 6326.9278 2788.0970 11589.4618 12121.7689 4043.2622 5817.8511 4668.8897 10770.8718 7295.1342 6674.1310 4018.3041 15562.6004 13129.4047 13296.7907 6508.4893 3352.6911 22536.4030 4351.2450 6282.5737 19282.3115 6997.2621 4933.5719 7052.0381 9558.4175 2105.9671 9572.1469 6508.8220 6910.9766 8260.8291 6546.7445 9254.4467 11293.1289 7840.6758 13604.1402 11211.2659 11574.9379 4261.6610 10572.6404 3272.5546
2_5-Hexanedione 3444.6696 3469.0164 3570.6373 2973.7077 2790.3608 3012.5328 3106.7847 2775.4309 4308.4093 869.7070 942.0640 3717.5360 2533.0859 689.6846 321.1583 3424.5068 2506.0731 3185.5557 3558.1405 3124.9580 2817.4841 3334.0867 3777.8918 335.4341 1387.7250 339.2412 4052.5186 2806.4313 3454.5605 3917.0576 4701.2079 3470.5753 6402.9942 5249.8971 3019.0373 10099.8358 644.6105 3766.0747 13126.6841 6510.7976 690.7104 3294.7655 16479.7640 1325.5734 3073.3904 3523.0162 3183.3335 3386.9229 7157.3755 329.5914 3053.3879
2_6-Diisopropylnaphthalene 1365.6396 4925.8755 1667.2775 5181.0788 2517.9138 1009.0440 798.1724 127.6361 263.6815 3257.1149 1073.2512 1720.4767 2074.1744 173.7750 1095.2284 869.6629 2518.9538 1928.5179 3965.1333 1690.6810 14319.8220 5225.6569 1102.1329 802.5059 245.1312 2670.0604 4652.5081 158.2370 295.9680 18947.3938 1527.7644 1556.2970 1710.1038 1517.3820 1403.6840 3588.1887 7471.0034 1763.8802 5811.4590 2367.8006 3896.7142 3507.8945 785.9402 953.9445 2372.6834 1238.5257 653.6024 868.5908 5043.2486 2475.3263 2088.6494
27-Deoxy-5alpha-cyprinol 65211.7141 57980.0130 81057.0569 35439.5679 65142.5632 78818.7190 42584.2439 57286.1585 48169.7596 1314.5654 1734.6252 444.6586 102201.1844 93932.7179 38502.0515 60444.4454 90740.4176 44347.6179 48297.6223 9827.0150 502.8403 81593.8783 50207.2386 3253.7919 453.5082 130333.3818 2344.2764 2803.4394 1880.9806 7000.6083 46473.8049 7721.0819 15845.8849 8496.2548 20424.9560 9585.5128 1915.1870 1307400.7540 6144.5493 1784.1316 24279.4481 877.0157 1081.7841 14859.2436 50550.7557 13842.9194 107414.7809 40698.5546 1767.2503 54635.0678 38821.9972
(2alpha_3alpha_5alpha_22R_23R)-2_3_22_23-Tetrahydroxy-25-methylergost-24(28)en-6-one 6249.1307 4269.7051 3672.1674 2084.2604 3493.9886 2557.1360 140.7199 106.3149 1518.0304 3376.4644 1588.8720 3552.0652 2531.9913 5438.7609 320.4732 2296.5579 1487.0588 1233.2063 1979.8842 2941.2397 4877.4038 742.1705 2425.8057 3070.8365 3261.6867 24191.4184 1765.1497 2112.1313 6016.6530 1770.7698 21326.6592 17818.3332 2084.4425 7415.2149 5414.8784 781.0789 780.4871 10529.0501 739.7939 595.0564 2308.5341 6438.0529 4077.7185 7564.6338 582.7657 1672.9257 5763.7048 3344.6264 1161.7238 6804.1571 126.0423
2-Amino-2-deoxymannose 14904.8513 8219.4869 3192.1586 7695.4443 8654.5892 9485.2291 10472.1945 10059.1305 10670.7820 6960.9840 8439.8616 6080.6714 11148.6410 5825.4769 9291.1177 12441.4513 7463.4874 8117.7830 8497.7340 18059.2883 10852.5630 9415.6675 11585.9085 17935.5200 14382.1850 21731.6317 10197.3544 9083.5981 22882.8250 6916.4399 9655.5648 19958.9368 11808.4001 8605.8780 20219.4736 13007.7193 4693.8641 14520.8176 9241.2194 9407.3628 12833.5405 7727.5850 12377.0233 13655.0811 8318.6038 14907.4695 32131.3920 28795.0362 8613.8447 12328.2629 6243.5631
2-Amino-2-methyl-1_3-propanediol 2834.8149 648.4663 4067.3803 799.1115 2392.1726 3716.7721 1309.1026 14467.6185 7666.1973 6476.4277 8455.7899 1330.2702 2350.8461 529.4782 577.6571 2943.9136 3217.9852 7650.6144 3423.3168 4523.6580 373.7288 2953.1031 1790.0962 2346.1098 3693.0701 5576.7799 3150.7612 326.0837 5615.0972 1402.3480 3467.0987 8654.3485 350.1171 4076.1672 2767.1715 1597.3396 2580.1617 7514.2061 3443.3762 8712.9552 5462.2147 130.4956 1620.1651 143.0567 266.4372 4438.2896 5246.9599 2454.5261 4019.4275 5823.9747 3255.0746
2-amino-3_7-dihydropurin-6-one 3989.1856 1325.3170 3770.3139 4773.1341 3740.5899 3158.7269 3252.4574 1579.6949 1454.6879 1806.6797 3190.8823 3864.0447 654.9916 4728.3510 3218.6966 2888.3924 3155.7701 3774.4230 4997.5385 3310.6482 5166.2342 3714.9135 3565.7013 9894.0357 7101.4656 3655.3713 4254.1002 8742.7639 6490.3721 18085.0229 2820.7571 6827.8820 6658.8524 7860.2327 2198.4809 5003.4944 6706.7761 5148.4976 10698.0076 5583.8766 6393.9821 4677.8523 5301.8942 4918.3189 3879.7143 3897.8410 4666.4059 855.2672 5472.0533 5424.4124 3935.2426
2-amino-6-methylsulfanylhexanoic acid 11784.0158 67518.8940 3762.9738 13264.6446 1108.0914 5618.1728 9876.4519 20899.6980 424.0695 2602.4004 792.0082 2179.3899 10142.9554 10493.0168 1005.4945 736.2556 1663.8039 12430.8473 5058.4582 3515.1893 4654.9597 6844.1014 133.6737 1561.7117 3247.8354 147.6747 7841.8340 15052.2039 753.0483 8371.9840 13208.5874 1629.3548 2220.8181 19369.9770 1918.3406 14260.9792 6628.2896 8545.9850 102927.4097 15692.9926 6911.9132 25479.2247 16947.0432 54253.7166 2766.1547 2554.4776 9220.8110 915.2268 7543.3549 1319.8250 580.9791
2-Amino-8H-indeno[1_2-d][1_3]thiazol-8-one 17836.4444 2479.6241 3793.7667 1916.1108 2248.1875 7010.1565 6494.3596 19967.8925 3388.5177 2311.7329 2992.5076 9273.2096 275.6720 5455.3395 3348.8335 2703.8755 1513.1040 945.0237 2152.7082 2227.4062 1924.2057 2279.6882 3292.9560 2364.2366 249.0234 16318.1855 1404.7053 2565.1180 11080.5999 417.0032 464.2535 7209.8435 5764.6955 4013.4566 2486.1495 2836.9069 5924.1138 1951.4486 1121.0699 1904.5384 4755.2442 2102.5037 128.1052 2587.7185 2307.6877 3005.1891 3935.7729 4057.2971 2038.5303 7840.3256 7824.4725
2-Amino-9_10-epoxy-8-oxodecanoic acid 3539.3496 6451.2220 4221.3321 4156.6634 2039.0092 2895.3917 3276.6295 1255.1373 3691.7385 4393.1868 3962.3177 3938.6038 4270.6473 4543.6099 4216.4250 2316.0187 2301.6428 1646.4954 2085.0475 4606.0934 1393.6622 4080.7754 4180.0590 4953.7820 4945.8215 4064.8087 9991.3986 3715.0607 3178.5721 3341.6436 4739.4104 5729.9119 5132.3228 16781.5765 4150.0166 4641.6313 1312.8121 1612.4062 3150.9704 17654.4379 3580.3029 1638.5081 13149.1912 6456.1441 5610.8782 5153.0041 3926.5060 2597.2744 15467.2038 1366.8493 4263.6799
2-Aminoethanesulfinic Acid 8039.3364 4301.4982 9783.0999 502.3323 4614.9701 4455.0486 16224.8767 11554.7120 23345.3326 3200.3137 799.7740 2293.5195 1219.5090 119.8261 19943.4161 10321.8084 384.1115 213.8718 343.8576 8359.8951 1842.9584 5585.6109 21774.9088 3753.5780 30353.0211 1856.5614 2620.6559 4452.6391 3284.3288 16313.3262 1526.8658 13415.3807 1273.6499 6230.6070 1412.5371 3296.8534 667.4521 6867.6551 1800.6581 865.7267 771.1738 1275.6578 87.2779 773.7243 15599.3330 11694.1893 1979.7327 24072.0278 2245.2394 2278.7485 9516.3717
2-aminooctadecane-1_3-diol 6013.9429 7069.6165 14712.4323 8340.2339 56723.6141 14549.2559 15662.5482 14641.4631 14480.4783 9395.7399 30997.9674 11789.3427 10106.3862 13826.9195 11446.1429 8862.8367 15937.8100 8523.9720 6431.5748 10917.9714 24416.4441 11420.6584 16506.2971 10728.5796 12620.0132 25203.7285 37089.0992 15221.7082 28234.3311 5667.2154 10400.0345 34718.9024 10626.9686 96728.7992 15778.0898 33642.7529 48957.5040 12960.9336 6213.4469 26505.2519 38975.7473 12087.0666 15165.5913 22771.8440 12844.6941 10018.6661 10281.9059 36633.4245 36156.9932 27550.9795 16152.6652
2-aminoprop-2-enoate 754.8729 3215.3245 3385.4947 7854.8218 1048.7380 2976.3624 2152.0479 846.3730 2242.3818 412.9701 9685.9895 941.0784 2761.3979 3924.4655 1767.3867 1052.5083 8555.6841 3776.0337 6531.1751 273.9597 139.6820 3099.9807 1024.6214 1012.6765 866.2571 8224.5443 8495.6128 3967.5447 12474.1657 3901.9921 306.2606 1815.0749 262.9808 9151.2236 1723.9609 1725.1090 5870.2668 125.4893 1409.5797 1987.1296 11011.1503 3642.3486 3693.5372 6230.8796 1541.2675 758.9824 289.0874 2317.1992 3773.3484 2029.3892 3843.9806
2-(Benzothiazol-2-ylsulfanyl)cyclohexanone 647.6239 629.1366 616.2581 965.2509 600.6129 389.7624 225.5707 269.6324 568.0050 98.5892 117.7908 459.0165 873.2078 578.6803 711.1835 427.5346 377.8878 301.9411 126.5545 1124.9747 725.2538 451.6414 820.0537 881.3920 942.3367 1080.7744 654.2141 511.5663 1436.7104 562.2562 594.9566 1073.5594 613.2516 144.0695 1234.6819 506.6146 442.6012 609.2259 430.7196 543.4377 566.1206 451.7456 694.9403 614.5456 677.4287 984.6446 1629.8372 1782.0048 129.9103 714.1641 294.4036
2-[bis(carboxylatomethyl)amino]acetate 3004.2639 4085.8534 3077.7537 5349.8642 8311.2538 3000.0347 493.7239 1225.0725 3259.1415 4194.2254 3007.4718 4948.6467 3334.1044 11716.4343 638.5118 3110.8503 5023.2757 4836.3545 7587.6030 3123.8677 565.4799 6382.5644 118.1439 2959.0457 2967.8406 724.9895 2283.2521 2832.7588 3103.9398 3589.2372 3281.2121 2023.4820 552.4269 3595.6413 4633.6383 2924.0782 5890.2325 2660.7646 1644.0303 1393.5963 1628.7463 3064.2315 2071.4360 2959.7089 5115.1032 3117.8813 122.3115 3217.8484 2852.7485 4107.8775 2561.8952
2-Butyl-4_5-diethyloxazole 535.9875 1581.8594 4248.0822 10167.2291 4942.8793 1504.4788 1076.7509 37136.5626 962.6825 2843.5976 1402.5667 581.3706 7205.4454 5015.8881 7121.5564 657.3856 491.2880 1533.7440 35052.3317 2553.9294 3933.7594 984.6521 4624.6295 602.6725 645.6983 1025.6736 8555.4097 434.3919 1807.9438 5802.9930 640.3980 2286.3900 8630.5837 750.9354 151.7408 2087.7424 3157.6239 3294.9054 8060.9985 49083.4534 5352.0308 2742.5507 70162.7490 1997.7472 1491.2362 62.3010 1186.4851 576.3863 23184.5243 5239.3678 493.9989
2-Chloro-cis_cis-muconate 443104.4127 112558.7559 514968.2933 95143.7988 243986.4085 460105.3038 294351.0171 366887.8052 188748.0547 99727.8381 228983.2603 473655.3332 169271.0734 169549.8853 116285.1644 131240.4530 174632.4530 219154.1430 209275.3953 144574.4567 217290.8564 234336.8686 374276.9522 174243.2580 258234.6114 506522.4593 168015.1306 230570.2225 509478.2718 95558.5242 145264.2561 784476.2804 351747.9428 293963.2603 251932.4699 266469.7930 216714.2272 174412.6285 181692.9526 184734.3939 288588.2626 113642.7504 186907.2613 256496.7333 157840.1861 185409.7214 291574.7847 155824.7485 218344.5491 432033.7359 150657.6877
2-Cyclopentyl-4-(5-phenyl-1H-pyrrolo[2_3-b]pyridin-3-yl)benzoic acid 5934.5050 5168.0482 3900.2794 4451.0397 2871.1386 492.9407 437.3002 3883.7863 3425.8512 8426.1782 4310.8775 1149.6933 108.5726 3881.5125 1452.3650 3930.0804 289.9248 1088.9781 3212.1697 826.5062 4372.8486 6313.4980 594.9480 4932.3636 7242.6828 7633.7106 3853.3972 5797.8326 10069.8373 3770.7424 4125.5839 6106.4112 7450.5826 2588.4723 2154.5691 4015.3160 4343.1836 7439.6622 5401.3924 3847.6532 5638.7551 3516.2493 2245.2988 3410.5077 627.2372 2441.8466 3427.6627 2406.8103 1511.6668 3973.2246 1078.3134
2^-Deoxyadenosine 41144.0069 3937.6689 48260.2702 34872.5416 12542.7563 1190.4415 3347.2867 108133.8833 7069.6163 2197.3107 27793.1466 3604.4829 26802.0813 39872.7073 1090.9462 64869.0319 3737.1853 7482.5033 30406.0253 3124.3861 30802.1814 3735.4230 5713.2710 126254.4163 13284.0050 75919.7114 16319.2817 131270.7177 163050.8024 18597.7517 2779.8336 16241.8226 174473.8815 346526.4099 24060.6889 25291.6712 10545.5430 6532.8755 13787.3079 9337.5773 33042.1948 2352.7238 14104.7212 35583.8727 2487.3234 42496.7424 40796.7167 1421.0987 29037.8132 57934.1935 1666.1747
2-(Dimethylamino)benzaldehyde 1251.6119 24584.9062 23652.8982 50774.2936 4986.5919 188463.4682 37926.8841 5809.2001 539.0760 14876.5114 677.9324 9667.9835 27117.8524 19699.5249 29881.1965 22312.8098 481.8265 3113.9174 12142.1370 35022.0221 658.5377 23342.7638 4087.3749 7968.1687 20280.5542 10387.3813 15179.0774 14968.4546 11980.9703 2651.6605 25228.9168 508.6514 43783.5114 29849.2366 17087.1988 23089.6286 1836.8715 13436.2660 23788.6629 16244.0664 1908.9989 10435.1222 1295.7519 1069.5206 33897.4216 10271.3068 501.6403 207339.0234 14868.8615 18765.0874 11243.4988
(2E)-3-Phenyl-1-(piperidin-1-yl)prop-2-en-1-one 14044.8842 9419.8780 13968.1819 11311.1284 15325.5206 12251.1981 17908.5003 16094.1837 17449.1835 13447.9222 13448.9897 11851.9273 21372.9968 13772.6432 25733.8290 17517.5986 17591.4801 12165.6576 12462.7332 21477.8982 14039.6411 17478.6185 18477.0839 18666.7632 21775.3334 17786.9456 12899.0642 14156.9393 19350.3906 10110.7676 16371.6917 20178.0602 10633.9226 22963.7984 17026.5200 15644.0331 9921.0899 12050.6111 11081.8628 13605.2586 14315.1501 11387.5784 17323.5213 20044.7581 21019.2426 19546.2041 16320.5556 18772.9265 14294.3627 20148.0067 19204.3263
2-ethyl-2-phenylmalonamide 413.5615 892.3876 3233.6111 10288.3936 4738.3459 7883.6919 2723.1362 10057.5662 1022.5052 1727.6745 2276.9375 1385.3226 2436.4683 125.9286 1387.2069 6383.0852 1902.7155 1800.0151 7855.5375 2708.0071 4415.4406 425.1848 495.9224 4279.3612 522.7366 1063.3397 5159.5746 107.1586 4833.3993 7981.5627 3169.3633 732.4643 8212.6807 252.5644 100.7275 2485.1336 663.7088 2200.4166 2821.4472 4504.5270 3557.2365 1180.2555 26288.5442 1439.4691 3332.9543 1597.9601 359.7278 638.9301 2301.1116 1820.1910 1489.2310
2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone 1334.6235 637.2951 1704.0240 213.4895 316.4663 3009.3725 70486.8660 693.1142 2602.7318 18257.5267 1098.8204 713.9584 25406.7349 31530.4469 448898.6430 270139.9968 32650.9243 15041.7069 293.0514 59081.4906 17284.8716 27724.6101 59074.5381 1538.1318 321.0139 287.4180 423.8169 15507.9307 421.7832 63.1140 64138.2064 7957.7783 53.3444 1933.8963 10075.7366 13000.4416 207.7062 111.6802 11744.5773 104.7742 1550.6600 963.5168 487.8196 292.0450 874.2758 3129.2104 18488.6612 31189.0433 13801.5711 28266.7427 475.9258
2H-1-Benzopyran-6-ol_2-((4-(2_6-di-1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl)methyl)-3_4-dihydro-2_5_7_8-tetramethyl-_dihydrochloride_(2R)- 28461.3651 20871.9675 26846.5237 4258.2248 46363.1731 47866.9026 51848.4953 29422.3607 20926.2927 8111.6232 30994.8476 30322.3069 67128.5877 54767.0658 41433.1088 83749.7141 46028.5226 29543.9684 18242.0448 64236.5141 19034.9980 34937.2405 49018.9249 92775.6832 36764.6150 41633.5367 25949.5588 46400.8270 39722.0125 11739.5415 71584.8385 62590.4850 39707.8314 67136.8462 24923.9594 32603.7056 30073.3185 35970.0577 32284.4086 42368.2016 45344.0715 23064.5471 47277.2297 41595.4002 33559.1801 82485.5236 68967.2426 64739.7201 36545.9007 51123.0759 38606.6543
2-Heptylbenzothiazole 1226.0174 3214.7661 3861.0361 5766.8063 455.6614 573.6106 1327.6830 2066.1471 6555.9635 8584.1982 4286.3037 1964.5008 335.2911 3881.5308 680.7911 2347.7596 500.8751 1299.1531 22240.2695 263.1095 8839.6646 3397.4819 1423.8546 3723.2833 1575.6779 2322.2256 2764.6803 1503.9845 246.2218 12931.7008 6082.6998 457.5658 9334.2130 2890.8659 1326.6589 11140.5387 10642.9110 2286.2485 16891.6327 3276.5451 3945.4214 2969.9240 4909.2460 1497.6669 602.5422 597.7710 916.2874 436.5194 10014.3416 1179.3927 307.8807
2-Heptylfuran 2018.9513 2059.1131 5740.6912 257.5952 291.2540 1919.3750 2014.6872 1411.5114 2220.1152 969.9433 2546.7926 2243.5097 2204.6802 1938.2534 1980.4540 1562.0373 1824.2314 1865.4152 2050.9157 2214.8211 1984.3683 2348.8317 1938.3217 5036.2353 1727.1815 2952.2890 1653.4418 1970.7878 2012.9587 2001.5484 475.1454 265.9527 2753.2825 1570.6029 2131.2823 624.0199 1099.0407 282.0930 1882.9527 1926.4716 710.2163 3500.8147 1617.8922 1643.6747 1991.3824 1879.8368 5643.3575 2453.2725 1956.2027 1625.8807 2054.7487
2-Hydroxy-2-methyl-3-oxobutanoic acid 1502.0555 202.1594 1339.4640 794.3032 1676.6986 1240.5959 1316.3587 3868.0520 1832.7727 1275.4541 3038.5296 185.5829 1608.0786 1437.7027 1454.8257 1504.7112 1138.3713 3814.3384 220.7326 1208.5076 2083.1579 1252.5865 1533.0457 443.4492 1940.7177 814.0912 2283.4750 1592.0087 1486.3591 2037.5982 1649.0846 1681.5995 3046.3573 740.2765 406.8416 3082.5443 4355.5507 1655.5193 2361.3501 2183.1851 5534.4962 1079.4422 2376.6005 5491.2363 1300.2919 1190.9930 212.3283 1149.2382 2328.5638 2685.1084 1348.2574
2-Hydroxy-4_6-dimethylpyrimidine 229.5838 6834.4107 33949.9924 2250.2604 3062.0107 2301.8354 666.5769 3412.6581 3385.3108 4485.2418 1979.8518 3448.9244 2198.0477 710.3788 418.2303 217.2433 203.0186 3761.1545 5441.0908 2168.3256 1202.2654 894.0431 1031.2225 513.6245 960.3000 3373.5507 5593.6282 3444.5312 13619.5914 3078.5515 2775.1784 2004.2163 222.7059 2162.6258 1900.8720 4735.1704 217.9983 8231.9608 3654.0836 12778.7632 7804.1468 5880.1608 13350.3804 6815.5941 221.1406 5128.8200 253.3570 2390.2131 3395.2258 861.0347 675.2286
2-Isopropoxyphenyl N-methylcarbamate 5487.3857 5176.9527 1876.7576 6024.3385 1809.7157 3778.2826 3164.3616 1071.9125 884.6155 16636.9138 3925.0010 11260.5143 4657.8672 452.3906 1133.5580 4274.4236 4562.9366 9801.9202 23989.8553 3268.0066 2497.0471 773.9853 3059.1221 6886.0850 5520.6225 1880.7057 25407.3182 7160.7817 4362.8685 18537.2931 438.4142 175.0454 8773.6502 1080.9291 5719.6457 11400.6968 23421.0507 730.1005 20300.2128 20610.4691 14897.9215 21337.4202 17054.2995 7773.1616 377.7129 3222.7842 4518.6260 100.4582 27449.8216 9913.4752 4790.1918
2-Isopropyl-3-methoxypyrazine 967.4055 323.4590 223.5093 4872.6213 624.2847 5077.2657 1029.4324 873.3991 124.0343 802.9583 1165.9317 1077.6260 1249.0749 1492.5442 1006.0789 1519.0058 1529.8223 281.7455 1567.7912 1507.2821 650.5802 443.5579 2714.5347 1297.5992 1458.0737 533.1306 2937.5560 1220.6953 1178.3601 1470.5863 1509.7657 719.2998 827.2276 1154.7356 594.9083 224.2780 1984.0184 2009.8531 422.5181 645.8650 151.3443 1456.8190 6594.7490 1263.6075 138.4090 975.9767 116.6833 1995.3112 1343.0081 1335.4215 1434.9695
2-Methoxy-6-nitrobenzonitrile 2164.2426 2847.2682 9225.7791 2524.3280 4607.3708 7797.7581 6286.3494 3177.6191 4034.4537 2518.7684 2646.6618 2220.9524 4057.6125 1249.5814 5588.1472 8047.2667 3792.3581 102.1216 788.2314 11090.7009 2492.3016 9254.1449 6365.2686 3413.9149 3313.6265 3474.1741 968.3611 2980.8604 110.4620 3816.2568 10565.7759 5220.9711 2490.1108 6626.1662 645.6408 1072.4701 2403.2347 2729.6597 128.5211 108.1657 2143.9747 2684.2245 2464.2369 106.3997 651.0897 9529.9082 9297.1221 11947.0922 109.2887 554.0654 11107.2260
2-Methoxyestradiol 2177.0175 310737.6985 3411.4197 449389.4824 22695.3431 522541.1270 310235.9422 6772.7382 54416.5624 256214.0072 154071.9339 1424593.2130 416081.0956 642.3588 1044546.6310 42565.2526 9172.3844 1905.0770 997.7013 2032059.2810 211616.4753 125.6610 291371.7179 454765.9860 278000.5793 319845.0696 257560.9522 216446.5296 4040.1238 548779.1418 6481.2898 34618.8431 228123.2367 408037.4500 1208408.4190 6847.4862 4096.9578 223.6731 16117.4891 793.3147 119556.9338 260749.2054 899.9021 840.0871 257406.9135 1155407.1260 11881.6562 1892746.9940 4062.3412 95.1132 3897915.1600
2-Methyl-3-(methyldithio)furan 8621.3538 11746.1940 11167.1033 15161.2288 11977.4827 9962.5420 14973.1105 12561.8654 9453.9928 7182.3883 9734.3144 11589.7642 13734.6563 10903.1255 12494.6621 11308.3149 13659.0093 13358.7961 14412.6820 15096.2206 12763.8941 12951.6675 2914.1790 10656.1719 14380.1254 6812.9901 13033.5623 11727.2170 7689.2887 7773.6313 15342.0728 11585.5608 13026.4768 13719.9730 13415.3753 12280.6616 6458.6494 8369.4347 11189.8169 13039.0554 14904.9067 9897.6766 12962.7873 17177.0702 15427.0059 13147.6996 15380.0133 12548.9011 10480.9104 15546.7733 16356.5594
2-Methylamino-1-(3_4-methylenedioxyphenyl)butan-1-one 105608.9668 96247.5488 46349.8732 82143.0928 65688.8808 553046.2903 63208.5054 165382.2990 18051.7180 101280.4786 1567.6177 8183.8577 82996.5152 103172.6072 84782.5646 106482.0719 31849.1539 24238.3550 79105.6125 98904.9009 93771.3616 1644.0346 104630.1048 3386.0939 95359.6185 62449.0150 148456.5289 261.2492 359790.9605 95503.4108 100543.0615 115024.5273 193792.1827 125765.4533 50593.9244 77878.9926 27626.9863 141756.0529 83955.9024 226424.7237 114665.9420 555.2168 1787.8117 103509.5695 95102.2032 111449.8773 144935.7182 115475.7000 97974.0502 94222.8900 16751.5018
2-(Methylamino)-1-(morpholin-4-yl)ethan-1-one 5415.2490 7106.7495 4977.5160 5662.8089 4309.0661 6448.2315 4501.6400 8780.9736 5436.7851 3213.4122 730.3770 147.4847 318.2937 160.9842 3907.1573 4931.7501 3687.8073 2969.9876 2182.1616 3656.6922 6022.7893 3990.2133 3921.4126 4896.3980 5991.5492 409.1371 8036.9242 2049.2464 10139.2217 4734.2361 5290.6483 4704.9297 6722.3836 6453.5978 3644.6995 4381.7190 5372.1341 12812.8389 21014.2283 7538.8518 6197.1000 5187.2368 7418.0069 449.1026 4674.9585 2303.7356 5652.1931 1560.0673 6251.5924 4054.5720 2085.5909
2-(methylazaniumyl)ethyl phosphate 29459.5069 45608.8787 74587.8553 49409.7359 78558.9596 49565.2934 66278.3440 76681.2457 75999.7097 54494.4699 42810.3928 29525.5529 116118.4422 57163.2397 85108.2590 43178.1863 50076.9375 40975.1754 43806.9127 115902.6994 57543.9420 63649.0091 84943.7571 75555.8664 85459.2178 67687.8363 59895.0710 61652.2923 62116.8801 26409.2289 34178.6840 60632.2035 23937.0476 151528.0825 38178.3610 48231.0625 22122.4693 14271.5546 19678.2150 35475.2902 45032.6286 39021.1027 14861.4662 35959.5344 78754.9163 117627.1606 76918.8209 104471.1158 63364.9119 86902.8901 89643.1815
2-Methylcyclohexanone 1646.1512 1456.5715 1298.4772 1271.4646 1734.0002 1244.7309 1361.1102 1664.8963 1435.8464 1654.3498 1257.4972 1219.2930 1857.5904 1246.3923 1680.9475 1121.0688 1778.7178 1537.6803 1445.5052 1864.7938 1696.5583 1535.4135 1670.0502 1319.2655 1758.9527 1797.9993 1425.2883 1086.2276 1485.0446 1502.6279 1440.5190 1886.8665 1320.0999 3986.3821 1632.8933 1651.3687 1291.4727 1506.4119 1443.1891 1544.0395 1424.3701 1362.7641 1885.0786 2089.5213 1485.5834 1687.8433 1627.5281 1477.5580 1487.2830 1565.5497 1754.3347
2-Methylthiolan-3-ol 2613.0787 468.6546 65498.1129 48655.1037 595.4790 95391.2997 285.1198 324817.6214 63473.4934 1000.1243 1930.8610 121702.5572 62802.2260 103945.1259 53914.6553 1019.5989 68370.7880 367.4256 130315.3140 38117.8500 45895.1277 47167.6093 72543.8208 823.8612 85086.1954 710518.8112 104.2148 298776.8007 143724.2184 117475.9168 3791.2519 152856.5565 3729.1118 101852.0109 551.7367 651.1443 565.8254 41387.2512 41082.9927 40195.4516 824.0601 450.7375 81873.4400 479.9160 65008.2654 52480.1870 54465.3467 54024.0534 806.1600 324387.1900 82616.4979
2-Naphthalenecarboxamide_N-[2-(4-oxo-1-phenyl-1_3_8-triazaspiro[4.5]dec-8-yl)ethyl]- 545.2622 636.5388 419.6157 653.9172 396.7558 427.8963 495.3113 1746.4898 1215.6494 506.7782 776.5581 404.0022 577.3997 2744.5690 316.5425 889.6296 440.3005 1026.3077 1220.6761 575.6874 778.3907 419.6987 304.3280 431.7390 304.2307 3985.7146 782.6287 3650.8647 661.7421 3836.3739 5932.1020 8448.9905 1128.7471 1184.5847 1093.4284 1953.0708 1364.3537 441.7976 649.2372 4137.9372 1744.5044 288.6423 654.5301 1337.1671 453.1300 763.1405 665.0874 269.3720 1003.3300 1472.5199 904.1594
2-N-Undecyltetrahydrothiophene 2702.6588 4586.3800 2667.0324 2812.6873 1996.7315 2409.8655 2944.6039 2716.5150 2270.0190 2386.1645 1830.1710 807.8333 5816.4791 538.2719 2854.2781 3548.2686 1050.4153 2083.5311 1884.4299 3229.2343 2484.9689 2574.9988 3062.8575 2054.5447 4147.4508 2963.4987 2884.7610 2389.0631 3846.1824 4320.9290 3446.3549 3323.9710 425.3688 3129.0444 1574.1700 614.6380 1600.7460 3486.6556 586.2195 2797.0113 517.2166 1653.5825 3060.9041 2727.2135 3139.5245 2803.1734 15299.8689 4751.3402 1238.5514 2873.5910 2849.3912
2-oxo-6-(2-oxoheptyl)pyran-4-olate 104.0460 630.8903 10403.3629 11871.6456 9143.7462 6889.0189 9881.6247 3771.1414 7369.0722 2042.1506 3040.1682 1094.6523 8282.9187 5675.4330 1738.5413 12613.0086 10285.9052 4889.1038 1231.1338 3105.4447 5310.3364 8710.3000 1066.4758 21682.2965 11958.9608 2184.5801 13560.2749 956.8791 121.0799 3137.2384 14573.0708 2072.5771 616.4527 3730.9333 12801.2404 280.6760 6717.3666 18862.7315 32029.2960 2564.1916 93.9509 287516.1201 1439.3429 4669.3625 4263.5558 530.9021 2873.7789 2990.4021 18416.6035 19371.8414 1098.1615
2-Pentyl-9_10-dihydroanthracene-9_10-dione 34114.3180 145301.6245 74797.2707 167894.6703 146135.7013 139304.7532 148761.8044 138410.1506 127914.8636 147293.1364 121886.7155 152386.4698 65850.4746 114941.5260 137217.0758 132818.2585 168811.2035 156297.9249 110811.2193 158032.5164 115681.4589 162352.0235 153663.4540 90478.4399 153486.4807 87688.3462 140860.2896 79818.0686 99777.3410 126412.4849 142303.8103 240032.0224 106814.5122 150482.5977 73059.3145 98335.4866 78350.6561 118350.3945 79612.6192 66246.9742 67078.7174 144533.6483 175464.2103 96674.8786 167093.8451 215163.3484 91293.4296 158932.1875 134942.7140 153187.9006 154746.7678
2-(Pentylamino)acetamide 4204.5222 9406.0202 2782.0092 8336.8471 21559.7078 772.4347 8044.5576 20398.8278 1817.9774 20358.7912 5888.9067 2986.9888 6967.6019 22228.8848 7887.8905 17575.8140 11882.6907 7048.2490 33270.6166 16228.3150 24194.0705 26382.4695 8169.6749 614.3429 28422.3476 13278.7095 6708.5494 4793.5735 1142.8754 7004.5960 47080.7271 12167.3449 15419.4165 3908.9535 2823.8425 5212.5479 3884.2071 2765.3120 9538.2726 5137.7108 7815.0012 3708.7571 1553.2402 2981.4452 8363.9799 279.8095 10988.6273 1315.4120 6018.7757 4096.5273 1922.9168
2-Phenylcyclopentan-1-amine 111.6404 1376.5235 852.0909 1018.1917 1222.3462 619.6839 614.3001 718.8491 1763.0560 1199.6257 1277.8422 1597.2183 1135.4525 103.7100 1159.4213 5258.4521 953.0477 1939.3575 148.5866 1150.3840 1678.8706 1310.0879 127.1070 1025.1696 1643.1985 1236.6603 3591.7445 1200.5428 3424.1626 2201.8788 137.1017 1380.5793 808.6382 3854.7595 447.0128 2987.9209 855.3039 307.0178 884.9452 579.6329 2875.7545 1241.2588 1805.3257 1125.1179 1168.1138 677.3782 846.6013 985.3220 2120.4233 768.3648 153.9328
2-Phenylethanol 84941.2655 850.1803 2152.0908 897.7562 1831.1209 88.1610 8671.7409 307.1836 27686.2972 2079.5596 319.9882 1051.0273 11198.4550 5063.4353 2120.2177 6358.9790 119.7251 2303.2789 971.1964 17232.5585 1228.1448 7025.2057 7031.1455 3162.2325 1123.7936 2605.9009 1803.6913 3782.6595 25723.1070 765.6773 45449.0694 16817.2243 1389.6243 39.5344 277.1227 514.4656 912.1562 5622.9632 546.6715 451.5617 545.6172 735.1206 1353.6434 797.1233 168.3354 2899.0194 109248.7100 77917.0051 892.6383 1877.0905 10373.5649
2-Phenyl-N-(5-propan-2-yl-2-thiazolyl)acetamide 21147.2743 17978.7589 21196.7161 17736.4413 22157.4359 18114.6224 20867.6535 22981.1909 20530.3823 18474.1485 19371.9365 18818.8260 24293.2949 21181.8387 26962.5974 24378.3253 23424.8363 19481.2108 14071.1870 25101.4968 14033.3232 24012.4628 27072.1921 20363.6450 25977.5164 20100.9897 24823.5708 22713.9728 25361.8979 15841.6141 20731.4472 29773.1549 16925.9030 28600.5838 23092.8796 21268.4594 16987.0306 21048.8633 20314.3339 20246.8876 10607.4361 17563.5353 21863.5972 25599.5196 27443.0396 23781.7170 23080.3028 28489.3706 15168.2000 22251.3772 28317.4682
2-Phenyl-N-(pyridin-4-yl)cyclopropanecarboxamide 362.7348 123.0306 216.7147 126.9507 504.6760 120.4771 244.2134 382.0686 337.6631 729.8916 507.5802 295.1190 234.3258 218.5233 243.3072 488.8952 135.8444 295.7052 110.7607 259.8880 141.6450 223.3990 107.4847 215.2654 344.0926 274.1856 396.8319 423.9747 752.9536 382.5584 274.1445 567.3385 692.6192 526.2804 227.4585 573.5041 662.3589 412.2276 459.5073 122.9472 672.3793 616.1932 244.8978 229.8355 267.6615 445.5941 227.3507 174.1950 238.3093 671.1342 221.9051
2-Phenylpropylamine 916.4459 12786.4883 4130.0589 8530.8147 22477.7037 1965.3732 1994.9460 7482.2311 8074.1320 21031.5926 7422.6460 4317.4066 16352.7550 14646.0820 11690.2264 17358.2371 8401.3033 2038.5837 23980.9448 7185.9530 11619.7634 14753.7659 1583.0369 5407.8984 31070.4063 16396.4596 15585.2387 15361.5996 5193.5654 17599.0542 2579.7453 12485.5836 14627.4430 11339.2432 4129.4442 13097.7109 16940.5646 10145.6544 32312.4904 16946.5946 18871.6851 7691.7891 21745.9983 25020.3019 7836.3211 6746.0687 4387.8682 9288.3813 3146.9236 879.5328 13201.7058
2-Phosphonoethylphosphonic acid 15207.2226 15002.8488 14092.7332 15127.5782 14746.0404 14159.9211 14094.8388 14170.6857 14822.4558 14734.2339 14460.5819 15681.0533 14048.7455 13939.9693 13621.9661 14586.8531 15636.0656 15980.9103 15270.8931 15546.4509 14378.9102 14642.6807 15963.9882 15936.7065 14462.1502 14879.4775 14894.9564 14531.7590 15790.7949 15380.4815 15502.2136 14772.8558 15506.6925 15420.2517 14622.1045 15187.2151 15673.8192 15170.3355 15282.0433 14686.6189 15821.2615 14950.6978 15010.1446 14058.0135 13535.6279 15295.3018 14552.1638 14442.4734 15176.9602 14071.5094 14126.7382
(2R)-2-amino-8-methylsulfanyloctanoic acid 1046.3064 1544.3438 3354.9886 3201.7819 4200.3528 1409.6756 1719.9640 7886.9643 5279.1842 305.9806 3737.0772 96.0394 2960.9056 95.6402 3886.1430 4264.6759 3731.2144 848.0113 60875.9692 1985.2424 2455.2832 214.7997 515.5585 1813.6257 433.8281 3023.1646 5337.2730 1128.7584 1141.4718 753.3559 4700.4275 6352.1991 842.7074 218.6888 1705.0624 9479.9479 11999.1390 10343.3245 1380.1397 24167.6573 1775.3151 435.2982 22602.4357 2153.5834 3818.3238 4521.2539 327.7277 94.9338 20521.7448 2533.2993 846.4083
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate 93586.9683 20499.9580 276244.1972 44620.3321 74964.7604 95167.9985 78757.4985 9367.2540 470594.6905 50458.0746 5711.8463 98296.2005 14637.7779 3398.9298 21814.9935 257.9318 8251.0252 96340.5479 27886.1100 21329.9933 12674.7488 249091.6780 113343.8810 2038.0078 49279.4284 128672.4854 224190.1698 94314.9140 49091.9384 3584.0113 8832.9952 167325.2574 62438.4134 3525.1095 223661.4217 16460.9631 269130.1034 114978.1833 10603.6254 154674.1983 80887.2504 280517.7389 6435.0773 20190.3717 80436.3195 36062.2215 168782.1909 75127.4662 59331.8946 7559.6841 194771.4489
[(2R_3R_4S_5R_6R)-3-acetyloxy-2-[(2S_3S_4R_5R)-4-hydroxy-2_5-bis(hydroxymethyl)-3-(3-methylbutanoyloxy)oxolan-2-yl]oxy-6-(hydroxymethyl)-5-(3-methylbutanoyloxy)oxan-4-yl] 2-methylbutanoate 1326.7994 2547.6988 1116.7840 1065.9304 1458.9437 688.7003 1642.1216 1186.1577 912.6325 1248.4859 1273.1008 748.7479 1071.2252 920.7144 1631.6460 2109.6322 1678.9663 1669.1815 1136.9903 1335.2725 788.1438 634.1458 929.0969 2039.4530 1248.6291 2072.7697 1431.4213 1958.8051 1144.9639 1722.9975 1817.5515 1080.7355 2288.9226 2494.6562 1560.3504 1128.3163 1361.8658 1017.6248 720.0464 575.9263 1149.7083 757.9647 1726.9263 1369.4512 1962.9445 2397.8227 967.4310 1228.7550 2469.2320 2373.6707 1354.1426
(2R_3R_4S_5S_6R)-2-[(3R)-3-Hydroxydeca-4_6_8-triynoxy]-6-(hydroxymethyl)oxane-3_4_5-triol 683.5969 326.5527 501.5372 1558.0950 1585.5480 1060.6428 537.4225 1193.0758 1360.9774 1426.7163 5409.0915 600.2785 111.8677 109.6458 1273.9083 15773.4257 176.0183 474.7142 831.0706 113.1101 1423.3766 367.5181 316.6587 1357.1397 296.5597 808.8851 623.9745 466.6730 384.4276 1768.6130 1104.9972 1076.2288 1285.9600 475.6588 95.0240 1308.4204 576.2787 1190.9346 92.8635 186.6597 3986.2929 814.6144 1209.0978 245.6243 111.8869 493.9125 616.5654 1112.2212 102.1948 124.0389 124.0472
[(2R_3R_4S_6R)-2-[[(4R_5S_6S_7S_9R_11E_13E_15S_16R)-7_16-diethyl-4-hydroxy-5_9_13_15-tetramethyl-2_10-dioxo-1-oxacyclohexadeca-11_13-dien-6-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-dimethylazanium 2148.7832 18422.0047 778.4541 814.0547 367.2941 3829.5988 3011.9725 1229.0715 1438.7970 404.2087 1204.1092 786.0187 622.0742 6642.2438 950.3856 1847.3957 3343.7863 5304.6898 17988.9127 1922.7211 4844.4283 98.6314 420.1588 515.8199 3967.3478 2036.1171 9344.1640 3562.8878 3528.8476 1246.8223 4631.8701 465.4564 18240.5410 2556.8326 4619.9868 1295.8365 1016.3782 366.0265 852.8217 1297.9861 46592.4691 3966.1775 565.6567 1193.0119 2285.5182 4159.1664 6541.2538 1913.6842 3841.8764 1975.2909 973.3538
(2R_3S)-4-Methylidene-5-oxo-2-tridecyloxolane-3-carboxylic acid 261.6386 7435.9288 4402.0415 4150.3040 3921.7917 2953.6118 4242.7679 1390.9895 4138.6173 3000.0474 1900.9188 2703.5042 7171.2861 2940.0227 2748.8410 2245.9910 3644.3170 3777.4408 914.8520 3161.9901 319.0940 3524.4004 3063.4877 3290.7112 3201.4978 562.7006 3972.3953 3269.4831 469.8830 4162.2527 24165.5891 245.4054 263.6404 3296.1511 3361.4204 2655.0309 3479.6691 3927.6629 5628.0290 259.7560 358.6281 2434.1724 15215.7306 2650.3977 2478.0717 2584.8959 3805.2234 4113.7700 2603.0064 245.8430 3892.7719
(2S)-2-[[(2S)-2-azaniumyl-2-(4-hydroxyphenyl)acetyl]amino]-5-(diaminomethylideneazaniumyl)pentanoate 9153.6540 25017.9996 1768.8162 10244.5156 627.3776 198.4581 4812.4381 1568.6540 8124.0643 18826.4750 5356.7738 11636.2201 6718.2221 13480.1595 2262.2717 6756.1261 8068.6277 5095.7647 30782.1842 5482.9269 55090.7913 7547.9494 4732.8042 6745.1799 19323.8358 2127.1785 5301.6675 9418.0498 7065.1126 7656.5413 3431.7612 7228.5171 11035.0649 3829.1592 11202.6202 11416.0355 13693.3428 8651.0492 23293.2379 16415.6590 37883.3655 20833.5665 12583.8337 10403.9980 156.3303 6439.1196 134.4560 5649.8097 55433.9159 15920.2527 11312.7095
(2S)-2-(aminomethylideneazaniumyl)pentanedioate 1784.9901 506.2944 1418.8087 1126.2741 1600.2169 1760.4893 1505.4399 4448.6746 1307.8018 1268.2578 3030.3809 1669.1482 1701.1617 1986.6138 1199.0841 1466.8463 1133.9191 4373.1488 1037.5319 1228.8516 2582.3288 1512.2795 1389.8657 210.3143 168.9310 797.5372 2388.1551 161.5237 2047.9766 143.6428 1683.1195 1776.4409 3266.3685 1811.8327 927.6923 3996.4373 4801.9561 1608.1989 2528.7947 2188.4669 6598.4617 851.4855 2643.7656 6237.8127 210.1622 1824.2032 1604.6705 1619.0177 2084.4842 3042.7405 167.4549
(2S_3R_4R_5R_6S)-2-[(2R_3R_4S_5S_6R)-4_5-dihydroxy-6-(hydroxymethyl)-2-[[(1S_2S_7S_10R_11S_14S_15R_16S_17R_20S_23S)-10_14_16_20-tetramethyl-22-azoniahexacyclo[12.10.0.02_11.05_10.015_23.017_22]tetracos-4-en-7-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3_4_5-triol 1815.1009 2800.4269 2435.6271 2732.6278 2489.8092 2197.7576 2431.6670 2402.7322 2408.0792 2801.6225 3267.5911 1909.4415 2799.2541 2924.9504 2413.1197 2797.1617 2016.4440 2878.6721 3051.1268 2316.6435 2970.3043 2851.7365 2456.1401 2686.6317 2652.1185 2889.3887 3206.4647 2395.0342 2696.7361 2770.8917 3000.6072 2629.6014 3721.3924 3115.2095 2943.0802 3365.5474 4093.3772 3027.2797 3163.4156 3512.0584 2262.0302 3053.5599 3055.9475 2437.1531 2450.3950 2586.4455 3513.3364 2710.0836 2743.0479 2999.8412 2382.7816
(2S_4S)-4-Cyclohexylpyrrolidine-2-carboxylic acid 5877.6543 6311.6293 1081.1320 1360.8134 3106.9955 4381.3756 557.7938 457.1334 5265.5242 7466.9830 572.2565 9669.1065 2636.1746 8345.6613 4787.3588 4104.3356 4402.6730 6815.8806 6061.9412 4834.0257 916.5435 4266.6622 4657.4192 6510.7509 490.3365 5888.4407 494.4157 8639.8377 782.9819 2982.7476 5512.4000 5664.3204 5279.1043 5060.5928 5091.6642 594.6767 2142.4617 1842.4206 6132.3357 2361.8412 813.4521 61993.7831 5655.8863 8715.4164 4538.7841 10412.8889 4723.7442 4990.5995 6426.6118 6396.7541 3910.8961
(2S_6R)-6-[(3R_5S_7R_10S_13R)-3_7-dihydroxy-10_13-dimethyl-2_3_4_5_6_7_8_9_11_12_14_15_16_17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoate 3498.3991 4713.1329 291.9856 730.2958 2594.7688 2209.2852 2330.0680 687.6884 2840.9076 1157.3067 1645.4656 706.3545 3821.8376 800.0006 2861.8444 1003.9942 1710.8211 587.6230 2215.8210 3052.8717 5213.6761 128.8201 2326.6127 6138.3180 5204.3350 21177.4632 1516.2901 133.9749 2204.5239 1041.9485 6586.2629 13442.3783 1056.3944 6512.4850 2585.8802 1297.9533 2146.1725 6957.7485 260.0262 1093.4935 4037.3501 4409.7122 2704.4686 6601.3963 3144.4591 584.4178 996.6899 2718.7494 1390.1063 7434.9776 119.7783
2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate 3637.1899 13503.5884 15995.9374 6117.9568 4948.9057 4289.5059 2058.0898 6655.8641 1107.0019 23459.0010 1714.9235 7220.7453 4357.8117 5983.3761 1480.4726 6492.3946 1603.8447 3155.5292 3207.8064 4641.6172 2831.0696 1220.4511 8559.3512 320.7065 5840.6225 8494.1459 3352.3214 13443.5520 17550.2658 9330.4363 5229.7950 13627.3668 1455.7506 5911.1689 8042.8672 13862.6551 4369.0473 2173.1888 1427.9210 2445.3263 14973.1039 2224.3559 1494.6130 5550.5303 3495.2192 1155.6328 1496.0759 2428.0144 1023.3319 2588.8674 542.3568
2-Trifluoroacetylpyrrole 932.8820 948.1037 775.6572 1347.8937 557.3989 1681.7515 1054.7433 616.8482 1186.4746 1352.9914 396.6791 1393.7829 305.4290 1155.3137 657.4904 894.6275 1011.0731 341.1134 1323.5712 756.8895 1229.8383 1250.2680 2144.5487 258.8136 990.4250 1560.0009 1719.1137 1082.8041 396.8338 1067.4151 722.4618 1682.8473 923.0959 1133.1485 1179.5278 1489.0793 2282.0078 215.5162 465.1562 152.8317 648.7533 712.9500 965.0226 1219.9547 1787.7133 883.9188 274.5852 149.6370 929.9257 615.1886 1776.0321
2-Vinyl-4H-1_3-dithiine 1254.8190 1463.6031 1090.5883 1089.1550 498.0738 1200.3735 1218.1882 1501.5879 1149.1367 1195.0670 1099.7782 1155.1906 1058.2115 2279.7641 957.5561 2638.6091 324.3526 817.7395 244.4561 1136.0440 262.3680 1308.5271 1153.4411 1327.4584 1249.7800 1360.8655 951.7598 1908.7281 1567.7670 1697.7689 1439.7330 894.9402 1530.1369 2396.5239 1114.6300 1071.1516 1671.7581 1096.0037 1125.2650 663.4698 3129.4157 1201.6150 1060.5254 1092.7148 1112.9383 1376.4508 1523.4210 1239.6322 541.4758 1333.1302 1377.7164
3-(1H-Benzimidazol-2-yl)-4-chloroaniline 2591.3610 2595.7015 2705.8353 2535.2915 2905.9617 2493.6435 2711.9252 2398.5000 2606.5315 2867.0650 2367.8706 2142.1912 2855.6383 2186.9251 2901.8400 3326.8211 2941.4163 2613.1347 2116.8717 3059.2684 2402.8819 2816.6192 2859.2916 3129.4116 3338.8002 3175.6081 3351.7596 3047.9842 3317.2401 2912.5656 3134.3850 3044.5622 3161.9121 3312.9354 3649.6924 2923.2063 2829.6350 3360.9632 2685.8661 2973.1982 2848.5394 2850.6976 3207.4605 3395.1830 3200.4642 3323.2824 3302.3229 3604.4387 3130.4157 3033.6881 3321.5859
3-(1H-Indol-3-ylmethyl)-6_18-dimethyl-9-(2-methylpropyl)-12-(1-phenylethyl)-15-propan-2-yl-1_4_7_10_13_16_19-heptazacyclotricosane-2_5_8_11_14_17_20-heptone 3028.9487 3192.1500 2544.4859 2515.5890 3105.5773 2062.3738 2432.7620 3280.1275 8817.2454 7957.0169 735.9254 2367.7496 4839.1409 3116.0659 2226.0251 2271.9676 2393.7751 29731.5625 16339.6209 2313.5349 931.5914 2755.8404 2528.3271 4588.6602 3091.8434 22060.1703 2378.2831 11714.0019 337.8942 5275.1649 162.7842 4260.1448 983.8151 145.0778 4134.5713 9487.3383 3639.6288 2216.2312 579.8540 2981.8872 4009.0520 2487.3412 2594.3002 7181.4872 3005.4556 2741.8869 2175.6734 2146.4058 3213.9143 3213.6515 286.6280
3-[[2-(3-Hexylanilino)-2-oxoethyl]amino]propanoic acid 40420.5203 42193.8686 32827.9769 38082.4456 37553.0757 35132.0751 35849.7060 33629.0525 29736.1937 42129.5063 38519.4312 48980.2762 38051.0323 43834.2867 33820.3039 34915.7070 37256.6913 29141.8521 43821.6215 33678.3066 69676.2762 26581.0437 34859.1792 9308.4115 6380.0209 26201.1008 30713.3910 1181.9624 35477.1492 45621.4748 41580.0915 37308.7940 55253.1286 9563.9104 31779.2372 9755.1407 43495.2370 42759.6499 159039.6520 68188.3754 110477.5159 62055.7295 42065.7445 61594.1120 34109.8193 30863.4831 42016.9891 39183.4002 61878.0216 55762.0681 25225.8869
3-[2-[4-(3_4-Dimethylphenyl)piperazino]ethyl]isoindolin-1-one 9966.1161 22394.5816 6029.6134 16094.9348 7451.1261 9246.3195 8624.3797 9211.2825 8385.4853 6504.2076 770.2213 4131.0037 10516.3020 13568.8215 6987.3690 9545.1680 7655.2930 7705.7616 27852.7579 9507.0850 120874.5417 10199.7275 8087.1048 10466.1548 1294.9251 12716.5754 5148.2389 11412.1393 9268.4103 3115.1691 541.3081 7965.2121 10025.4018 11804.1104 11897.1040 9321.0556 10475.0882 13385.5724 10530.6385 12681.5669 15159.8318 39555.7388 7398.0550 3611.5738 7647.2673 10937.8392 14593.5814 9425.4213 64274.0951 13642.0858 4606.5486
3-(2_4-Cyclopentadien-1-ylidene)pregn-4-en-20-one 1054.9828 9578.0266 8276.7552 10720.2983 1173.4312 3670.4654 3509.8930 4331.5834 28377.9287 23487.6417 7115.4732 3907.4811 11019.0447 1777.6289 8549.8855 5305.1771 3104.5716 70134.6728 42215.4153 6110.6454 3937.5130 9701.8900 4414.9198 11007.7803 10851.7675 56486.9317 4410.6683 31272.5904 3011.1102 12666.9777 2022.1169 7947.3750 9624.1640 4106.1515 12482.3550 26981.3510 9496.4105 772.5730 127.7931 652.9468 239.4688 577.1750 3468.5881 19152.8881 4663.8488 5242.6553 954.0892 4186.9666 10198.0582 9567.3201 5310.1132
3-(2-Cyclohexylethyl)-4-ethyl-1H-1_2_4-triazole-5-thione 11057.4012 9641.8382 26820.9453 15276.8662 8459.1778 11693.8308 22413.5793 11007.3798 8281.0199 8861.8014 8797.2308 10137.9273 10841.9536 3888.7662 6322.1307 8617.4793 4898.7418 13217.7451 10769.2133 11845.1541 11663.0805 17462.9788 12066.8185 5611.5404 5935.9242 7996.6131 11913.7106 10510.6317 9481.8609 3796.9890 29286.5877 4582.5388 4014.8967 12164.5500 8932.5159 13512.0605 8228.2326 10611.6911 24418.3522 7564.4394 10936.9067 4827.8925 15080.2937 9999.5768 12528.7719 5043.7469 10025.3829 8850.2519 9552.0120 10532.2949 9760.0515
3-(3-Hydroxypropyl)-3_5-dihydro-4H-pyrimido[5_4-b]indol-4-one 22044.6719 18570.9081 1940.5685 3586.8480 4684.4289 1598.2252 1668.0901 2983.3977 7559.2104 7404.9796 2720.2319 773.3452 3982.9279 3821.9595 4916.1769 16391.8956 970.0844 1944.1708 1822.2555 7150.4961 3111.8881 14340.0587 968.9847 4030.5384 10115.9439 9510.1291 4994.4669 6757.6642 22562.0600 1942.3848 22714.1558 19826.7798 1009.8661 405.4242 3220.7730 9291.0651 819.5215 10022.1118 5820.4117 1575.0997 4583.9565 4940.1547 773.9964 1878.5499 4058.5628 8338.8038 11287.9084 5058.7294 563.2330 3106.2438 1124.7978
34:6(16Z_19Z_22Z_25Z_28Z_31Z) 22593.9358 25924.0872 27079.0594 21562.2197 26666.5131 19501.6942 13429.8235 27741.0084 27386.2018 10698.8782 25086.1021 11576.6380 10153.0717 22273.8234 25921.8101 27532.0906 19199.2459 12663.6353 12065.6495 10786.5348 24941.6050 10584.2683 11850.1650 28360.9054 25437.6851 27342.5535 12863.9632 20355.8238 10407.7540 12283.2637 27635.6686 12372.3908 29148.8355 29381.4085 29768.4675 19620.3606 29284.3332 28217.3587 19335.2258 20958.7510 28017.4839 25912.6676 27610.7752 18159.6816 20960.6792 28182.6695 20588.4829 21188.5723 23386.3299 11496.0471 11021.3764
3_4-dihydro-2H-pyrrol-1-ium 527.9021 666.1070 893.6341 232.2946 1012.2131 183.8095 1091.4205 587.9879 1075.6825 320.2466 674.4448 188.2435 1784.6046 625.1879 1554.5017 1241.3907 1440.1976 675.2309 354.7991 367.6792 456.8057 1441.8828 2403.9766 1370.2954 2338.2289 843.4785 923.6574 356.4553 1237.9041 616.1922 1041.5374 1440.4374 404.0006 1408.8387 574.1924 703.4921 565.6071 330.8497 387.8064 994.4835 418.7882 636.2734 964.7075 1490.3843 1532.5741 1319.3795 738.2334 445.6269 500.2010 1007.2938 1027.5461
3_4-Dihydrocadalene 524.7097 4861.7301 10814.4876 4834.9764 265.8089 3424.0861 4564.0239 2983.3307 1618.3880 14100.7707 4937.1588 7532.2072 2893.5218 6899.1490 3329.4073 2008.2915 4619.1822 5332.9326 9768.1662 4262.3306 5972.1402 4894.1176 2975.8752 4913.1667 2191.0110 4712.2493 4121.1468 8936.2504 4496.5056 5904.7861 19912.2658 3212.4164 4535.6861 4422.1411 2906.1342 944.7222 1402.1828 5164.0811 4720.0952 4536.3229 2427.4741 5598.8203 4670.1718 3645.4059 1268.8946 5599.7066 5096.9149 3864.9108 4685.4686 261.3862 4595.5136
3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid 2776.2339 12444.3807 4551.7666 192.1579 614.8811 10324.7454 1312.6388 277.1263 2807.8277 828.8219 984.3899 2934.2637 2880.3129 976.8834 130.8527 3504.2887 288.5402 147.9826 146.5442 1809.1173 5724.8930 2569.7457 153.1449 1009.6286 4127.4187 3807.5392 12506.1238 1565.8301 668.2477 5202.7094 4384.5976 2196.7591 5149.6558 3012.1797 440.5684 4913.3394 16175.3671 2740.8595 27639.0001 798.6209 1246.0522 4827.2320 1495.8811 3503.9573 3873.1130 136.9597 1681.0920 7024.0990 998.0475 4389.8290 182.3271
3-[4-(sulfooxy)phenyl]prop-2-enoic acid 11335.2124 375.8864 21132.2527 283.9284 4465.1926 18902.1415 7212.8371 10308.1333 2695.4849 4079.3129 3828.6722 18072.7942 2224.0107 2736.0477 978.9231 919.5315 3074.3152 3845.9406 5001.0917 1918.6368 1453.0642 2041.8293 11262.9202 2665.9622 6161.4414 21461.4568 2818.5331 6698.3576 18126.6781 125.1957 1928.0565 50376.5439 10770.2894 5664.8057 4351.0491 5957.6068 5130.8987 2292.8404 2425.0929 2003.6346 5795.3439 998.3490 2307.7071 5872.9386 1258.5006 2330.8182 3930.5915 2209.0553 3424.4907 14354.6223 2078.9610
3_4-Thiophenedicarbonitrile 327.3141 70.3024 1215.9421 819.4105 635.7140 1307.2886 1406.2942 559.5768 516.4676 270.6614 87.7200 1288.7690 183.4810 995.3701 520.7381 362.0081 853.3547 170.3807 282.3212 1084.3714 591.0095 964.6735 12005.9593 2381.0907 532.1914 341.3487 520.5855 796.1260 892.3592 549.7377 826.8472 1548.0677 135.0631 90.9954 415.3427 435.9161 69.2924 370.4918 212.7727 550.3973 610.4141 429.5568 619.7553 439.3025 157.0785 773.6037 906.4035 1635.9672 273.4987 549.0629 225.8368
3_5-Dimethyl-4-propyl-1H-pyrazole 67238.4686 12145.2351 142.5664 2145.7869 809.0594 13997.3839 7097.3869 638.6986 6379.5777 3856.7353 7344.4709 12526.4677 5951.7351 43458.0430 1216.7394 11268.5920 15918.8967 8538.5558 10638.5813 19901.2516 11324.1232 9978.1951 3628.9458 8564.8292 1173.7493 3225.6196 12856.5018 7680.0256 25493.3077 2434.8313 51443.9669 916.6418 136.3813 11116.1307 11852.2905 6430.1682 1545.3273 14480.9760 10958.2576 13920.2618 12736.1462 319.0193 14028.3767 9117.5886 10130.6767 15224.5631 28437.3443 64053.8249 10382.2105 140.7074 14167.9828
3_8^-Biflaviolin 6581.1372 7645.3232 8328.1820 7563.0486 7036.0090 7970.2797 8522.9762 7585.2697 6974.1202 6970.4911 7830.7883 6333.5401 6853.0565 6828.3325 7825.7854 8421.0960 7296.4675 7509.0140 5680.8484 6805.5054 7729.9871 7688.4782 8485.2472 8031.6447 9172.2780 7555.9578 8033.7902 7723.8449 7996.3369 8803.1360 9473.7571 9494.1928 9648.5036 9682.4551 8392.6512 7777.3507 7926.2592 7623.6213 8479.3048 8352.6166 7021.8029 7963.7845 7686.9220 9153.0776 7281.3344 8086.2414 8283.1574 7879.1213 8374.3583 8018.2269 8963.4547
3alpha_12alpha-Dihydroxy-5beta-chol-6-enoate 24522.0930 71210.6815 23562.4113 33008.8709 61421.2561 2643.2053 25628.8311 57086.4330 33176.4540 53380.6640 112294.0465 3778.4429 51831.3458 47700.5605 5006.7116 10383.9721 31669.6574 61308.8438 80498.6280 36770.6629 58522.4910 58619.6168 20998.0438 76588.6619 172065.9838 12897.3904 46141.3405 75206.5130 25287.0952 36071.1074 13293.7572 21344.5254 161255.7164 50618.2414 21266.7578 48387.8456 76234.4185 74527.7486 107142.6638 85954.1247 70888.4856 89298.2281 24625.1385 36395.5765 2112.4083 13540.8565 53161.3570 27257.2187 42886.3989 25658.2381 25099.2195
3alpha_7alpha_12alpha-Trihydroxy-5beta-cholestanoate 7924.1607 8795.1499 791.2646 382.7626 770.7637 2607.0323 759.8374 6300.7051 4306.1873 4136.8044 2361.0569 4289.3704 2441.6793 7820.5286 1769.7645 2663.9062 221.1986 1141.5553 5042.3325 1870.5347 7941.5558 916.4798 1756.9262 4518.0177 1869.5703 2990.5463 2871.3570 4224.4994 5375.0087 2814.8601 5425.0752 188.5605 2256.2352 509.0646 3802.4457 2454.1397 6220.8965 15880.1467 4513.4929 382.7736 3534.3643 5708.7221 2125.6572 1170.2608 1404.7165 581.1907 7802.0809 2432.2852 2248.4503 930.0479 2059.5696
3-Aza-A-homocholest-4a-en-4-one 334035.3397 12357.9682 1089.1800 401697.3655 241534.2960 259996.8656 6551.0599 899.3771 4196.6070 532785.3795 284537.9388 393444.5122 249905.0861 2083.6473 441091.2005 373256.6647 308147.6401 56525.0203 12478.7372 347892.9432 1811794.3140 593606.3939 341153.7108 2988.3653 277562.6213 293.9632 106957.7508 343364.7171 2339.6736 404938.5457 509540.1155 868398.6130 187880.8744 32255.8167 1864315.3090 25163.3631 75054.9836 11774.2740 230208.9713 7842.9349 733137.2482 14234.1629 25973.6539 601272.1383 526815.5294 360090.3983 300799.5960 213.3748 4989855.3220 18696.0577 427400.8853
(3b_4b_11b_14b)-11-Ethoxy-3_4-epoxy-14-hydroxy-12-cyathen-15-al 14-xyloside 3233.4526 2290.4818 2760.5672 1952.3288 1754.0751 2443.2260 1862.9674 2139.3283 1763.0894 2623.8361 237.2816 2405.9359 1706.2519 3342.9176 2413.2221 269.3748 212.7441 1418.4686 1935.8606 1802.1888 243.4300 2553.7396 2369.2015 2483.0947 2234.1655 7735.0130 212.7689 5100.5041 3838.6700 3334.4032 5809.5668 12958.1132 1788.6021 907.0335 276.9985 2349.8125 1423.7280 1587.8891 236.5672 4055.7046 1231.4655 1669.9736 420.7162 1047.6580 2310.5552 2000.0819 2450.5433 2224.2007 1141.6564 1520.1893 1383.4751
(3beta_17alpha_23S)-17_23-Epoxy-3_28_29-trihydroxy-27-norlanost-8-en-24-one 3566.4782 12308.1622 3439.9112 1611.2868 2118.8505 863.6187 513.3974 1148.3065 3923.1850 4852.2141 2497.9627 3146.9263 2958.6391 2470.4817 573.4659 1214.3611 606.5150 2805.0252 481.4697 1627.8798 1497.2653 5688.0085 2434.3520 438.9925 785.6371 2310.4537 1330.0635 6327.4825 1792.9680 3319.8872 1630.7007 216.6843 720.4629 5439.3366 45410.9666 985.0888 1497.0921 907.2065 313.8075 954.1890 2627.7262 7692.0897 520.5244 375.7005 346.1887 1070.3059 5988.9013 213.7401 1461.1197 9585.9258 2531.1755
(3beta_5alpha_6beta_9alpha_22E_24R)-23-Methylergosta-7_22-diene-3_5_6_9-tetrol 16415.7294 2687.7500 3414.5231 1810.5497 1517.4531 1808.5254 104.2648 1146.6197 10256.6221 4033.3428 3056.5225 4083.9308 4189.6550 2632.6889 642.0124 2052.3283 1421.6239 1914.2881 1853.5280 729.7800 1753.4394 1451.9603 537.2408 2925.3511 5218.7254 142563.7885 4888.2981 2813.1309 9454.7220 3701.1570 7333.9397 13434.5698 7996.2151 21677.0767 13617.0419 2886.1210 4679.0621 57739.8454 6048.4221 3281.4175 9281.8813 5114.5947 2073.1747 23289.8863 1891.7948 2457.3042 2738.0876 876.7397 2838.6558 5187.7856 950.6364
3beta_5alpha_6beta-Trihydroxycholestane 42157.4821 49569.4753 45305.9292 33598.4235 47884.2285 39889.8277 44650.8521 42989.7155 45779.1951 45324.4963 44421.3475 42385.2971 39206.9739 44166.7588 44872.9716 46633.2668 39442.9392 36951.4797 44280.4688 44909.4375 44813.9445 46053.2862 50926.8868 48723.3582 51510.9407 47332.4540 47621.8203 45769.8253 34006.5520 50306.8918 49715.8967 47108.6639 48838.4712 48483.7227 42795.6064 32512.9761 48430.4696 46444.9618 52193.0666 40048.3118 50144.6453 51987.4595 52370.6536 34652.6059 48395.8356 37718.2183 48794.4697 46203.8189 45690.1982 36263.1855 49220.0883
(3beta_9xi_22S_23R)-3-Hydroxy-17_23-epoxyveratraman-11-one 11578.2704 8500.8982 34621.1169 14305.7635 18554.0239 46817.8812 59482.5409 20814.2520 40959.4888 11466.6870 11202.9332 6111.6988 1098.8624 3808.7097 23215.3255 19119.3190 21796.6258 1150.1728 10813.8610 27906.9246 11896.8351 180.7751 44713.3410 170.4946 11045.2790 2874.5898 1559.7763 865.7337 49301.8544 73.6544 55673.6298 9320.5771 820.9144 16789.2363 78.6959 436.5932 14177.6032 10762.0606 13087.1230 14154.9007 12415.6405 12177.3719 19213.5924 12757.6540 22220.5773 25274.0514 54259.7198 40665.0459 11266.2459 17889.2966 8851.6733
3-Bromo[1_1^-biphenyl]-4-ol 6658.3191 4436.3503 6006.4290 2772.4541 6858.7428 4948.3024 5564.9943 6411.1968 4315.8483 1228.5633 4971.3548 6525.6827 1826.9842 1235.9774 3565.2416 4650.0220 1669.0279 7687.7608 2922.2277 3128.2167 4609.8161 4041.4502 5108.7465 6350.2881 6237.3595 4623.0683 4357.6116 1129.4549 5722.8627 2689.8608 841.8911 5140.6124 5957.4766 6264.2501 5096.7866 6277.8377 2808.0677 2948.1207 4810.9290 6023.4552 6030.0475 4824.0269 6662.9933 6911.7063 5182.5280 6502.1633 5857.0684 4351.1880 4922.4142 6028.6429 2842.7578
3-Chloro-1H-pyrazol-4-amine 55590.9257 103810.7784 55796.4644 51219.7030 61965.1445 55190.9615 56465.9106 72273.3186 42999.6939 43972.2249 46571.9975 51400.5370 59465.9340 42026.4650 55815.6885 48796.2987 53864.8043 125448.3431 50860.2176 64397.3916 50278.8053 67046.1803 59778.7780 52439.3773 64616.7911 54479.2436 54289.7138 54035.7635 54612.9048 39474.4044 46961.8405 50627.8915 42932.9645 21457.6283 56507.7795 41149.2742 49805.3395 31543.2844 40216.6899 31950.1186 37409.0352 32534.9741 10692.4207 25072.9635 56219.3455 56621.2712 54131.6612 52831.6670 58889.3130 58197.0226 58635.7037
3-Chloro-4-(4-methyl-1-piperazinyl)aniline 121.9874 590.1793 135.5729 287.6949 304.8401 281.5969 195.9249 344.2489 195.0817 414.9350 319.7915 283.4105 907.3882 271.0524 128.1602 153.3258 434.1753 393.7369 310.3311 316.1669 162.7287 582.9219 540.4360 382.0237 195.5373 491.8456 412.3809 471.9007 168.7335 974.5395 675.3594 167.7107 729.8509 372.0047 628.6022 165.9514 133.5256 297.5257 397.2982 156.6037 424.1148 298.8914 491.6281 587.7957 540.1682 166.2391 864.5519 712.4700 384.5727 378.3776 315.5806
3^-(Cyclohexylamino)-4^-methoxyacetanilide 4877.6602 4169.0175 2605.6781 2533.5276 2998.1958 2619.9442 3972.0671 5194.6071 4175.4192 3598.7621 1405.9450 4534.7443 1396.2785 4886.2863 2862.2889 1718.2498 2063.9153 1135.9814 3794.6766 1494.3197 5008.6495 5074.3394 4825.9651 1744.8991 5090.4634 2032.3170 2564.6329 668.8985 3180.7447 911.3872 2792.7995 3623.9063 3966.7030 4707.6345 3081.9617 2292.2432 2016.7115 2438.7459 3380.3876 2335.2117 1865.2369 5360.0463 4031.1946 2643.8844 5851.3982 2098.2871 857.1519 1582.5364 1995.2080 2059.2128 4051.5124
3-(Decyloxy)tetrahydrothiophene 1_1-dioxide 1259.4029 3344.7359 1826.5921 3571.5109 1467.8727 1072.7184 139.7595 150.4316 1749.0240 2525.3722 1958.8590 1087.8035 1302.3131 636.4014 1209.5351 1602.3695 156.9137 1539.3133 388.9915 1291.5761 1216.3666 684.9401 991.4335 141.0720 1938.6684 145.2392 985.2856 2053.4054 607.1628 5415.7036 1554.1497 1742.2549 818.0018 1416.6867 1310.3539 1213.8977 5157.4019 4581.9574 6596.3105 213.5372 2180.2138 10770.4003 473.6195 1006.9590 1288.1413 1703.9111 146.1891 689.2152 398.7238 785.0469 1449.9812
3-Ethoxyandrosta-3_5-dien-17beta-ol propanoate 5639.5108 23690.4351 737.8497 18839.7096 5374.9361 2748.3430 79.3931 9386.7592 9516.8804 13258.1724 21394.5862 1296.5371 6312.2423 8608.1896 85.8168 1208.0101 6745.6803 1822.9421 23136.6128 174.7073 23379.1634 1245.0442 2716.3313 23811.4350 9965.9058 440.5025 10504.4223 14056.7757 535.7475 11729.2668 7788.6113 1605.1657 8626.5737 18176.4035 1021.9906 24226.5113 26709.8888 502.4604 16659.3972 17917.3236 20882.9181 8217.7975 19393.6552 3373.5227 3258.9296 721.5315 8607.6659 1773.7742 7798.6911 7310.0779 937.0995
3-Henicosyl-2-hydroxy-5-methoxycyclohexa-2_5-diene-1_4-dione 800.9197 1947.8987 883.0198 1396.1097 1261.1810 90.5657 560.8621 493.9997 5878.3538 4023.9872 2628.6750 88.8292 2872.3472 2775.0357 761.9330 1018.0893 222.1814 935.3734 1413.2048 776.8014 1986.2527 408.1281 448.3836 627.1501 200.9630 1890.3637 1052.6385 1326.4170 1266.3688 1745.8535 95.7319 1438.1358 3571.6094 1733.4486 3377.4220 2104.6814 3266.0823 2238.1682 1642.5265 814.5048 2015.9519 942.6033 3075.9853 3341.6538 103.1064 257.5529 760.5831 114.7567 2824.5272 101.0048 266.7928
3-Hexen-1-ol_(Z)- 63800.5577 94231.0294 38892.1252 51345.2796 57085.3585 62441.0110 148516.2701 48049.4047 9993.4626 49398.0959 41042.0935 52406.5877 44147.3189 24699.1389 58265.1062 48194.0880 84110.7358 13816.5205 13165.0504 74959.5060 72716.8815 63371.9576 57770.8126 38909.8812 88090.4772 4912.0580 44204.7799 31992.5447 79245.9472 39370.7455 42994.0313 78275.9676 37145.1626 80570.7548 42792.0145 11070.5036 43038.3569 29793.3167 36912.8309 38348.1199 34595.3606 46863.8710 50978.4039 45592.8008 57674.0502 76013.8865 63977.2992 56849.4391 32849.2183 41539.2905 35171.3250
3-Hydroxy-2-butanone 1914.0720 661.4314 292.3687 325.0762 980.9704 873.1710 866.4382 830.1423 1778.7426 1099.9292 438.7261 414.2941 1172.2368 856.5135 1314.7790 1855.2040 926.0683 860.5311 1009.8423 318.9838 531.6338 838.1317 1007.2969 3369.4084 2113.5056 2044.9984 2020.5033 716.0319 3617.9890 285.5930 687.4106 3400.7755 526.0141 127.9445 1486.7502 1440.9413 129.7398 1976.2992 964.4677 511.2304 1578.4558 514.3497 794.9078 2047.3517 741.6448 1754.4253 1574.0686 684.0705 520.8617 2216.0080 232.1016
3-hydroxy-2-(hydroxymethyl)-2-[(sulfooxy)methyl]propanoic acid 1487.7454 615.8937 1034.3928 743.6931 1284.4022 1244.6913 1011.2439 4264.9082 1412.3498 1623.6931 2576.1932 317.7899 1577.9113 1562.4602 894.7822 1214.3446 1138.6815 3973.7016 1283.0571 1214.4378 2572.2906 1317.8335 1058.5630 534.1873 594.4314 387.0846 2296.2324 1582.9660 1445.8600 306.6994 286.1532 1393.7556 2990.3575 1221.3723 285.0353 3428.2766 4700.1748 1664.3058 2240.4802 2136.3593 5476.5675 1091.4463 2359.6160 5325.5772 304.3784 1221.1620 1509.8243 1033.6667 2500.5729 2780.8651 131.9341
3-(hydroxyamino)propylazanium 2399.7361 4728.0612 11692.8517 1973.8265 5272.2451 20802.5006 19789.9382 15600.2995 5201.7291 6038.9127 13087.9155 19293.9413 7993.1655 2850.4632 15887.8014 97389.7274 3214.9821 1457.2743 1758.8634 3141.8668 21772.3135 42688.9842 28800.2947 3082.7701 3202.7848 2994.8440 1880.7374 5331.4611 1073.7942 13664.2211 34667.9796 2175.9754 5432.5106 6119.8012 24822.0202 3359.7067 3804.6300 1612.4755 2314.6531 1431.7633 10473.2992 12462.8527 34710.6233 7428.6203 2824.5029 111764.3710 122567.8399 22011.1971 9101.9533 3843.2787 30510.0835
3-Hydroxybenzoic acid 72111.3660 53972.9952 80580.7748 52872.6288 54543.9287 54122.9508 79624.3368 63522.2986 64309.7698 39770.2464 55091.4914 61791.0363 66385.8402 49957.3160 49507.5027 60102.7851 74271.5606 56274.9895 60688.6087 65154.7843 61104.7615 54340.5716 59288.8856 90438.6091 76303.4343 96999.7924 62888.6802 54008.5707 74982.7178 52245.6761 56832.5313 77563.0488 73448.9747 84355.6856 78650.8480 75884.0362 35211.4480 53895.9656 60669.6524 57866.1848 59681.0795 46450.9030 66889.0628 73374.7310 66405.7542 62937.3973 62586.9608 55981.6719 54172.8647 84285.8085 60982.8488
3-HYDROXYDEOXODIHYDRODEOXYGEDUNIN 25834.4986 10369.3443 1664.9873 4550.0207 952.5529 6799.8936 6604.5571 931.5900 17801.8865 12094.7751 6743.4381 3616.5884 18502.4215 32309.1791 2563.0336 18763.5978 5517.8568 15058.1135 9697.4542 9229.9420 45355.9765 538.6973 13291.9518 9226.3615 12028.3054 27738.2153 26949.1313 822.5267 24107.5391 9367.5179 914.0762 21962.4250 171238.6839 3369.5302 4439.8125 10275.0425 15022.7399 713.0819 52408.9449 30541.9665 192504.6264 7941.0089 30077.8459 9465.3332 925.2469 630.3391 20798.8460 1028.9970 16234.4452 39143.7154 3762.6480
3-Hydroxydodecanoic acid 25.2747 45.1754 398.8726 1112.9574 3.1857 17.7625 42.4551 133.2506 275.1292 85.7512 51.9178 50.3019 606.0164 5953.3200 28.6292 4093.0992 90.8135 26.2930 15.5812 34.7966 360.6864 48.5339 63.6109 23.2459 7676.2432 76.2024 40.4495 70.9581 24.1835 231.1046 294.8103 145.9815 86138.8936 1160.9679 18.8795 294.7693 40.3570 47.8613 55.1557 32446.8742 130.6034 35.3344 83.8085 116.4984 33.6668 6.8441 21.1292 1251.4003 55.3446 79.3055 14.7448
3-hydroxy-tetradecanoic acid 13663.9891 21260.7723 9106.9756 11974.3183 12152.9812 13725.2349 29772.5709 11394.6775 4205.9542 11169.9608 12352.6077 11386.4395 9837.1346 6379.3012 12178.8140 10614.7178 16884.7752 4130.4735 3764.3940 14858.3523 11961.2012 14720.0206 13664.4431 8350.8966 15139.2555 1937.0614 10838.4857 7955.5637 16586.7696 9359.9081 7258.6665 14849.4840 9068.0664 16401.9741 10084.1895 4256.4685 10482.4317 7484.6570 7779.7920 9455.3857 5954.3452 10474.4131 10525.0394 10040.4682 11972.7193 15393.6667 13882.1992 13054.3735 7584.5035 9453.4861 10573.9973
3-Mercaptopropanoic acid 3892346.4490 5338303.7660 4882154.7430 6141886.9150 4282902.7960 3562264.1270 4743820.0300 4201253.5630 4480599.8430 4609775.0270 4675325.8300 3895835.4360 3546836.7530 4008940.8180 4597331.2940 4532565.9330 4702230.6450 5276615.2370 4747511.0610 4667759.2820 5133995.6340 4544201.3330 4449332.9050 4657827.0220 4423887.8380 3565298.8180 4364646.8020 2942526.2240 4053884.3190 5427907.8500 3491799.7180 3628477.4770 5873433.2640 4282311.5820 4188556.3180 4477950.9760 3693114.5670 4369414.4320 4519153.4180 4757306.7590 4870510.3980 4579096.4490 4684319.2530 4457013.2580 4370025.4630 4869704.3470 4115339.0450 4793273.4710 4151938.0900 4355526.3540 4569817.9440
3-Mercaptopyruvic Acid 5256.4173 6028.6429 7079.8715 5382.3227 2164.7894 5770.9570 7337.7532 5412.9372 15913.0938 6223.5865 5700.3386 4401.5478 15492.2119 5875.3884 1498.2703 6101.6430 5121.9511 7831.4086 6116.5214 13638.7191 14710.5912 2152.8586 5395.5030 7437.4584 5654.0725 9763.3261 7404.8695 6433.3816 5587.0545 5151.6503 4051.6795 6727.2703 5445.4285 4508.2978 6334.1218 4723.6410 5145.4811 2865.0629 3511.6728 4546.5031 1051.9835 4394.2802 4074.8062 5628.0719 4866.6937 1160.7115 8806.5115 6267.0923 4752.2256 7281.9674 6063.0645
(3-Methyl-2-butenyl)-benzene 1413.6478 2077.8658 263.1491 393.2048 1143.6578 601.3440 1193.5351 1852.9017 1718.3306 880.0974 1394.7798 2077.2112 1213.7607 1923.3380 2250.3604 1793.4218 2274.2104 829.0105 957.1158 1832.7645 339.4808 1919.8162 1428.1712 1846.9543 2014.6377 1233.6136 1407.7939 1037.6150 1264.0012 1120.7886 3421.5672 1981.9450 985.7291 1235.1120 1020.4313 534.9437 924.6231 1507.0828 470.4557 379.3289 3370.7781 6073.4554 2389.3854 1483.3250 405.0913 6117.4674 615.6621 956.7093 2081.6849 3601.7072 2338.0155
3-Methyl-3H-imidazo[4_5-f]quinoxalin-2-amine 2332.7512 3239.0950 3085.1961 15776.9206 1823.9479 1908.0372 2797.2843 2896.5549 2930.3950 1683.7319 1217.0800 535.3095 2901.8065 796.5594 176.9338 2530.2145 3120.0414 168.5641 1640.5402 2812.6327 2239.9462 3777.8672 3967.3183 236.4821 997.0185 2956.4926 11936.8230 853.6297 4588.4973 3170.0952 2237.2714 3285.1331 19308.5011 2448.5367 3050.1520 2779.9837 8127.6539 1781.4327 5824.2794 3274.0949 4702.4113 1601.9981 417.2339 441.0737 129.5368 293.3182 473.6483 1091.3307 1777.3743 127.5468 2931.5996
3-Methyladenine 7070.7178 4178.2389 8301.3229 4411.1453 4221.1805 6358.3687 6782.4536 5255.2127 4907.6476 4262.4236 3760.8950 3943.0313 4832.7947 3037.6674 5000.2870 9514.7010 3337.1708 4106.7414 3446.8540 8161.0214 6273.3061 4576.8803 6199.3939 8578.1380 7240.7019 11343.5454 5460.4092 4320.4804 12244.5356 5158.5597 4523.5647 10621.5382 6035.0982 3835.8638 9399.9394 6832.0217 3633.2224 8127.5635 5365.8801 4411.3426 8155.4636 5225.6523 6249.2599 6441.8272 4345.1243 7922.5843 17405.9804 16831.6636 3801.1248 5976.6759 3450.3751
3-Methyloxindole 10221.9450 10273.9106 12721.1286 10655.5140 13506.7980 10800.4729 15973.7140 12193.1875 7986.4115 10879.5237 9144.2315 8456.7213 14302.7814 11665.7335 20820.8302 15058.2043 13650.1694 7095.0127 6422.6412 18116.2148 8956.7135 13738.6535 17306.5754 14363.7709 18978.7683 7283.8797 15855.7225 10910.9982 16674.7877 11564.8918 13739.2676 19474.5660 11213.7598 19623.9759 14618.6094 8619.6663 10554.0906 14016.4241 13702.2159 13524.7947 11316.5416 13267.4778 16264.3863 17595.2412 20077.7901 18462.4999 14563.5334 18003.7570 8801.5217 13585.2975 15082.2737
3-Methylphosphinicopropionic acid 7001.7389 8344.1373 12112.6586 8495.5248 10060.0946 9515.5910 9917.0681 8846.4244 8403.3671 6814.5783 6365.3689 8403.5726 9079.6098 6467.1418 9415.5315 7520.3994 10456.1430 8893.1294 7902.2818 8162.9283 7623.8532 7627.7481 11350.0106 6243.1704 8465.5909 4976.5596 7933.1430 5403.5315 4696.9174 6587.2595 6804.9585 5478.1211 7906.2877 9557.6612 8181.7484 8271.9628 5267.6017 5561.6792 7268.2592 8881.3440 6136.3939 7790.8781 8229.6380 8723.9656 11511.1689 8817.3767 7227.9640 7523.2245 8781.3765 8183.6914 10356.7949
3-(Methylthio)propionic acid 1102.9838 1042.0579 1243.9253 2077.6245 1111.3024 1207.8774 1218.3169 1308.9048 970.6810 1076.7031 1426.4542 1325.5547 1117.8517 1017.6391 1414.6310 501.9841 1640.7688 1166.5882 1137.4217 1150.0480 1037.0325 1150.8744 1309.8157 828.4654 2848.3235 1006.8931 1124.3869 347.2107 1168.5745 963.8910 1118.9677 1237.5047 1050.9675 1380.8330 1147.6713 1297.7003 224.7977 1075.3718 1038.0422 800.5356 952.8338 1100.4376 1105.5024 2020.1697 1370.8329 564.4372 1167.0073 1149.4748 380.0893 2371.9613 1240.9934
3-Methylxanthine 2109.7422 3601.0829 3943.3893 3688.1362 4263.8349 2648.7866 1929.9482 2256.5824 2271.4403 3141.0593 3889.6233 3025.2703 944.1207 793.5665 3433.6225 6827.4011 3467.1826 3243.5536 3198.6433 3054.4700 4221.9385 3049.7244 5055.2197 4131.5724 14880.6809 3569.5611 3744.1404 1569.0528 1566.1823 8548.7392 1626.9787 6863.9291 3886.2557 6213.1887 3236.1704 3887.0723 5342.4524 5739.6348 352.4249 3693.4456 3699.3647 6583.9971 4265.2016 340.0787 4026.5355 3858.9603 2991.2555 3209.7263 3787.0141 3550.5912 380.3766
3^-N^-Acetylfusarochromanone 900.6705 1115.8541 2739.5925 1983.1223 1142.0088 3699.7426 1900.3401 1471.9408 1662.0780 1973.3997 267.7192 141.1814 1873.6599 5261.2894 1524.2624 655.8702 601.3838 118.8022 612.1440 150.9101 1460.4900 8441.4268 966.0683 1724.8031 1061.8371 940.9167 995.6557 1810.0780 1384.9020 4197.6630 4935.8327 3187.4978 1979.3984 127.7507 874.2829 2304.4275 652.4263 3139.9585 1042.7956 1235.8091 192.6163 2212.1092 2532.9261 1543.4914 1650.1092 2840.0240 7713.8302 4106.6208 501.7748 453.9055 2592.4088
(3R_4S_6S_9Z)-4-Bromo-9-(bromomethylidene)-5_5-dimethyl-1-methylidenespiro[5.5]undec-10-en-3-ol 52174.4402 59849.2556 56225.8190 59176.0918 60509.0502 58958.5145 56079.8171 59650.4088 61106.5670 60357.6941 59551.8534 56053.4882 59883.6125 56425.0116 57762.3601 63750.1163 57254.6573 58020.2453 57518.8927 56988.0395 57885.7083 58210.5848 60718.0074 66076.9874 60976.8366 62179.2166 63412.2957 63952.0669 61968.1100 63947.2317 62326.4622 60219.5155 63094.1430 61838.5524 63101.1175 62779.6223 63709.1904 60443.7654 63930.5269 59865.8616 61040.4016 64045.0425 61030.2556 64866.7639 61251.7341 65462.5670 63307.3014 62910.5776 64455.1705 60177.1941 62647.2895
(3R_7R)-1_3_7-Octanetriol 542104.2707 437075.5445 506468.2175 473237.5353 534791.1784 486158.7142 679229.1165 576715.7367 382467.2620 362419.5897 414656.7772 484515.4280 670538.2084 470760.7485 778204.8892 600613.6044 618796.0273 295430.5692 256172.4617 745126.6386 304882.0936 614035.2211 789830.2647 499921.8071 646227.4935 282869.6770 513073.1514 395144.6619 583395.5651 302957.1189 376820.5907 719337.6102 371390.7339 679471.2907 523200.5220 382022.8369 291681.7413 454584.1083 383576.9914 435300.7793 285324.6165 355191.3389 554793.1883 563408.9320 789390.8823 596501.6929 611698.2510 687638.6000 284148.2714 477593.0779 609122.9181
[(3S_4R_4Ar_5S_7R_8S_8aR)-8-[(2S_3aS_5R_6aR)-5-methoxy-2_3_3a_4_5_6a-hexahydrofuro[2_3-b]furan-2-yl]-3_5-diacetyloxy-7_8-dimethylspiro[2_3_5_6_7_8a-hexahydro-1H-naphthalene-4_2^-oxirane]-4a-yl]methyl acetate 1947.9615 2732.3094 1012.5794 2225.4621 1917.8076 3126.5578 1980.8301 1188.3014 1693.0309 268.7945 3196.1441 3973.8134 2431.6742 2244.8826 368.1179 328.1457 1171.7416 3051.6799 2720.5776 1487.5208 2481.2896 2189.8737 1939.7141 2455.2117 2309.6287 5977.6506 8014.6180 2627.9851 2320.5783 2546.3557 577.4002 485.7187 1227.0704 2613.5871 236.5799 12346.2578 3105.4822 4758.7385 2390.9435 2148.9297 2620.5233 2428.7209 1503.9970 3631.7195 2392.1334 1917.5874 2325.9838 220.8483 892.3608 2597.0451 2074.6136
(3S_4S_10S_13R)-3-hydroxy-10_13-dimethyl-17-(6-methylheptan-2-yl)-2_3_4_5_6_7_11_12_14_15_16_17-dodecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylate 6261.8078 592.4212 652.1192 8824.6232 658.4185 2851.4253 3018.6081 6130.2415 6302.8566 8704.2243 2457.3283 6003.8987 8919.4161 3159.0141 2749.3032 1215.9705 5563.0157 8239.5096 12646.2630 15414.7985 11838.3153 4001.2874 6044.6536 701.6079 8085.5049 7008.3958 8735.2458 17300.5633 3807.3110 61896.6273 7221.4159 5400.0576 12149.3743 6293.5155 5309.2272 10492.1213 12130.4198 661.5445 21322.0962 8538.7021 24452.7476 1303.0940 11367.7367 14311.4596 6360.1504 727.0818 619.8239 7602.2795 8098.1994 605.1391 6260.7732
(3S_4S_10S_13R)-3-hydroxy-4_10_13-trimethyl-17-(6-methylheptan-2-yl)-1_2_3_5_6_7_11_12_14_15_16_17-dodecahydrocyclopenta[a]phenanthrene-4-carboxylate 2330.9575 3645.2973 130.6934 1876.7708 556.2912 1884.0757 1852.2370 1909.8793 2729.4581 939.0126 3577.2845 1754.4669 2646.6366 5725.5955 1659.1274 2249.9339 1993.7826 124.4290 3407.6859 1134.8470 1135.2651 3048.1019 1809.3938 7606.6735 3597.9468 126.3852 165.3548 8797.8356 4583.6452 637.8188 2772.9346 2244.8199 3709.9786 1109.5571 1807.9549 1506.2559 8144.8257 1732.7463 4763.1764 3397.8107 3156.7997 2650.3325 2609.7513 124.2940 1704.4381 1818.3671 7588.5709 1050.7005 2608.5901 2311.9649 1732.5470
4-(2-Aminophenyl)-2_4-dioxobutanoic acid 19227.3524 140097.1807 17476.1531 27397.6151 21420.4745 7484.2010 10859.9971 52937.9078 25050.1103 1121.9059 75504.2701 22131.6473 16517.5107 3891.1997 23647.7816 67932.6306 20586.6349 21877.2195 17330.2837 24754.1109 20906.6930 302.0958 5829.7727 21786.8679 29654.5590 2281.1943 19054.8774 5213.7175 17310.6568 21729.3740 17758.8457 11961.0854 22861.9061 21216.4906 29150.6191 12184.9642 11280.9157 2308.4833 20182.0302 463.0115 1714.5107 26405.3626 16630.7323 18518.9560 21609.4326 37495.9850 3509.5298 22445.8420 5729.7588 25092.2848 18094.6667
4-(2-Bromo-5-(trifluoromethoxy)phenyl)-2-methylbut-3-yn-2-ol 5300.8213 1001.3761 3701.5443 1032.7186 1596.7067 4110.5213 3313.4559 5264.8554 1718.8413 1361.5792 1704.1398 4632.0811 189.2164 821.1353 518.4687 1433.7343 1051.1528 707.8977 1118.4897 1108.9360 1024.4744 1152.7828 2590.5989 1473.9416 1033.4409 4897.9069 917.1983 1368.8695 4360.3747 1286.7452 1380.4696 7658.6600 2486.9025 2076.6086 2099.2388 1750.6083 1683.4460 1385.8323 158.1915 1069.9428 1640.8749 1003.4911 119.3754 1661.1043 1181.7771 1576.4560 2030.9840 1693.2780 1263.8158 3726.3226 1915.1058
4-(2-Oxo-1_2_3_4-tetrahydroquinolin-6-yl)oxycilostazol 3310.8730 4134.2639 4000.2762 3503.6224 3859.1965 3424.3649 3782.6760 4215.8648 5442.7540 4104.2838 3890.3721 2940.0499 3290.8487 4933.1032 3330.4789 5049.4020 4457.5146 4527.7805 4650.4493 6716.1330 2149.8692 4880.5550 4366.5688 4672.5907 5562.7845 4269.5905 3856.3271 5378.5843 3855.1972 3333.5488 4303.2492 5187.9902 4854.7552 7357.8276 4574.9098 2976.3913 2704.2827 3281.5763 2895.4526 3146.6647 3160.1215 4871.0750 5054.3723 2980.0777 3703.2712 6465.9025 3248.3889 3249.4518 5546.6437 5514.0969 4906.4862
4-(3_3-Difluoroazetidin-1-yl)piperidine 5522.2870 11320.4056 6932.9948 7264.0507 5381.2382 6137.8235 8565.9256 13460.3957 7200.7317 10467.1248 9661.0596 5310.6278 7323.6493 11070.9732 1493.4331 5434.6149 5121.9086 7056.3702 17601.5402 4753.7426 10249.4600 6231.3576 5559.3036 609.7872 734.7823 10917.4685 10242.0041 10204.9140 664.8329 4243.4323 11658.3228 5625.8326 12996.5434 8231.0064 6147.2610 9585.8361 13874.7540 689.9510 49005.4638 11286.9531 669.1500 695.3301 7525.0958 7430.6700 6689.6693 6664.6848 5288.8566 4766.9818 21699.1993 4610.3395 605.6586
4-(3_4-Dichlorophenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidine 1989.7756 1917.3756 2117.0016 1974.3641 1722.2383 2005.3784 1728.1610 2099.0805 1605.8497 1814.8022 2018.5479 2299.7605 730.5224 1930.5721 1761.6999 1641.0740 1982.1350 1608.8380 1344.0865 838.8019 1832.5981 2315.8566 1724.0635 1780.6106 2008.7438 1806.0388 1939.7077 1691.1070 1920.4096 1902.6515 1992.7858 2006.2934 2300.8106 2122.2504 1778.4165 2049.4629 2008.4511 1923.3336 1755.7014 1791.5254 1702.7447 1759.7047 1824.5397 1490.6455 1646.3031 2091.9312 1741.0086 1769.7153 1882.3872 1840.7607 1873.2504
4-(3_4-Xylyl)-3-thiosemicarbazide 520.0543 10900.3903 14197.5564 3243.7682 4535.2153 1901.4831 558.0828 122.9120 1018.1104 12279.1175 7560.1133 2067.6161 3852.6295 525.0947 1338.1035 1328.1077 6237.3329 3497.0154 5550.1470 107.8367 7328.0961 1296.5424 31766.5782 3750.8334 4535.8961 5084.0665 5634.1632 1072.5970 589.8200 14042.1793 5103.2613 1442.6992 10591.4636 425.9015 1732.4098 3033.5826 95980.1084 9510.7592 62835.2337 2501.8805 4028.5444 4735.4974 5978.4584 17773.0749 245.8924 322.5686 7899.6678 2625.2668 5707.7598 678.4310 2619.0622
4-{[(3-Chloro-4-fluorophenyl)sulfonyl]amino}benzoic acid 1978.1937 573.4082 579.5019 621.2544 625.6814 277.7237 698.9041 3596.8539 929.4835 552.6482 733.7632 1303.3293 585.7410 562.0299 2228.7388 695.0549 344.6692 631.1679 608.0861 696.8963 673.4690 717.7822 494.6605 870.9222 163.3990 1793.7832 134.3000 627.5046 2171.3745 673.0629 126.5634 1096.2444 1354.4989 923.1015 465.6848 318.4117 766.5546 519.7464 136.5669 148.3861 1609.8245 546.6853 132.6508 954.4356 779.7673 845.0345 596.4309 668.6995 336.4890 1139.5980 813.4011
4-[4-(2-azaniumyl-2-carboxylatoethyl)-2H-imidazol-2-yl]-2-(trimethylazaniumyl)butanoate 934.1742 413.5378 1950.2308 1721.5049 191.0354 1499.1743 1649.6559 4954.7186 1429.9956 217.7841 2538.3099 203.3166 1829.5856 221.7890 1396.2652 2107.7067 1101.8529 2494.8595 1038.9909 1307.0022 4907.1396 1718.3995 1453.8857 2129.2008 3257.4655 2194.3112 379.8961 3777.7056 2524.2613 2313.6562 2596.1020 164.4047 8731.3701 2695.3130 354.6486 2025.3415 2080.4711 1979.7974 1458.9250 5937.4080 3867.7981 6319.6280 15054.0974 1511.9448 1937.4371 2958.5283 1000.3466 1905.6116 3045.6846 2402.8231 1627.9814
4_4^-Diapophytoene 3607.2795 1594.3480 4167.2109 3517.1461 4036.3688 3162.3478 3718.1459 3223.3715 944.0620 6966.8499 2359.4763 3690.6398 2837.9456 3296.3260 4091.3205 4003.2560 3317.5298 2080.2327 11598.7158 3326.5057 4942.9308 984.4387 3775.9012 5263.2846 4104.8330 1118.0748 4303.9448 1778.2822 2512.3807 4650.0499 3465.1768 3604.9507 4048.9336 5983.2067 10693.8010 5600.6261 3257.5695 2562.4967 13270.8350 10930.6442 5843.4134 6682.4998 15116.2914 661.1900 3595.9242 403.9566 1177.1285 3094.2841 20394.0558 5468.7196 3560.8890
4-(4-Fluoroanilino)-2H-chromen-2-one 1254.6228 1036.1767 1247.4238 1247.8792 2143.8387 1546.4965 1285.0893 302.1252 1482.2079 1167.0709 1300.0183 1511.1368 1352.6288 1714.6970 1171.6055 1322.4214 955.1245 2767.9318 2558.1327 1280.0513 2196.0940 1294.8570 1491.8799 1558.6097 327.3389 1635.0059 2355.2854 1831.7207 437.5885 5370.4401 1466.8528 1224.2019 315.0164 1463.7284 1260.5762 1121.1956 3178.3860 1104.4740 1889.4719 360.2940 1118.2158 1358.1074 2295.9129 1410.2290 1473.9348 1423.1122 1354.1216 1337.1068 2348.3529 1302.7927 1651.4624
4_4^-Methylenebis(2_6-di-tert-butylphenol) 8689.5866 7192.9611 6232.2748 2805.6328 6321.6540 5548.4408 6085.0558 11050.9444 6613.4509 6046.9010 5859.1079 2270.0815 7173.9310 10626.2259 6076.3218 7328.6140 5735.6481 4354.1219 713.6416 5713.4456 15333.0012 6308.5901 6405.6927 7259.3157 7830.0906 9844.7711 6638.5588 347.6666 9572.0174 7824.6004 8863.7134 8662.1525 2587.0515 8307.0006 3244.6249 31989.0320 305.5947 3164.4699 14053.3085 18812.4299 18233.1567 2503.6983 6382.3224 3823.6103 6420.9778 6844.8768 10022.1879 6566.7548 8512.9842 7570.2069 4853.8077
4_4^-Thiobis-2-butanone 17486.5202 20275.1959 20744.3903 16982.6644 18014.9842 15779.6998 19690.4399 16882.3709 19179.5331 19747.8347 16411.4173 15203.1859 19755.0382 17158.5132 18426.5217 19538.8851 19449.2394 19083.6427 15888.2342 15802.4387 17813.9724 20285.7169 21144.6342 18276.6066 20834.2715 19056.1152 19205.8204 15945.8550 18923.6262 18537.7215 18311.4207 20515.0433 16005.8760 18364.4718 14993.4412 19777.0201 16002.7783 18772.6829 17859.0115 17462.2923 16424.0438 17431.2015 17698.5842 20598.2004 22052.4926 16768.3083 18906.6513 16711.5319 16150.8728 18427.4725 14578.5090
(4-((5_6-Diphenylpyrazin-2-yl)(isopropyl)amino)butoxy)acetic acid 7018.4807 4947.7960 8506.4493 2452.4394 1337.9095 6481.8755 5757.5769 9447.5515 9536.6666 41303.7216 17500.0335 5303.0308 6980.4591 12583.6558 2270.6209 7532.9088 5516.2994 223.4115 5451.5853 6054.7605 5542.2808 9603.5277 6972.7414 2381.5922 8524.3756 1482.0718 9968.7870 1194.3679 9032.8248 12479.1144 5761.7097 7615.0084 6958.6889 3951.3045 1250.7349 13363.0624 39932.0795 7973.5206 31536.0838 6900.5688 18164.5213 3701.6821 3632.0013 8835.7807 7699.7573 6214.4459 9083.5713 4909.4659 3537.5869 10380.8527 1752.5286
4_5-Dichloro-2-ethyl-1H-imidazole 1850.4658 2017.6484 1996.0782 2307.3117 2194.7442 2361.3462 2150.5879 2193.6145 2162.0961 2206.9984 2075.2454 1808.8351 2298.3733 2233.5841 2094.3447 2518.8121 1724.3036 2024.9644 1897.5200 1837.8829 2062.0987 1886.1488 2130.8466 2409.1799 2558.6090 2550.4667 2118.2168 2215.9342 2306.5429 2628.1679 2221.9488 2625.9095 2637.0047 2595.6339 2387.8981 2423.3174 2266.7467 2290.9300 2609.2325 2523.4502 2383.0957 2458.7573 2310.8340 2603.5586 2496.4657 2238.5793 2100.0058 2507.8479 2373.0722 2236.3275 2362.5316
4_5-Dihydro-2-methylthiazole 35722.9794 49183.4518 124063.9322 33217.3905 55875.7433 57359.7013 29106.3786 54648.0641 134666.2909 56488.5258 49905.0610 38410.7465 53348.3621 134669.8473 48008.0468 55119.4335 18322.7121 46847.2601 48866.0338 48027.3499 54938.1684 27433.0580 50877.0894 66003.2483 59258.0065 28064.9783 55878.5891 139057.7263 76889.5946 70167.1208 57735.1059 60816.4795 52359.6229 142443.4090 78743.0716 82663.9681 57763.0289 61346.9876 144649.4867 60514.8629 61420.3854 57669.6398 74170.7805 30228.9366 53457.1571 78553.3957 57478.8153 53781.6869 135771.9398 140486.2981 53523.2184
4_6-Di(1-piperidinyl)-1_3_5-triazin-2-amine 71375.0914 5708.6637 229470.2978 10915.7954 43601.2578 37227.0947 45942.7343 64485.2796 584946.8285 18812.8568 73984.4889 36146.6096 16541.2801 90915.7867 2750.8772 83581.4495 1683.1510 17226.4058 11673.3438 9098.4320 84265.0786 166553.1160 75883.0881 87027.0725 9478.2246 60478.5937 133397.6275 94310.2086 13032.5263 83242.6923 4977.8729 101568.6881 21195.7620 106536.4229 282293.2072 2345.7054 263154.1357 121545.5627 774.5366 90413.1357 98981.8134 439661.4092 108667.0499 76199.5585 62824.7176 7818.3375 137744.3107 68946.5089 13912.8534 86612.5114 141112.8470
4_6-Dihydroxyquinoline 29881.3316 165819.6956 20618.2236 23489.2497 25026.6051 12288.6066 20275.7640 65320.6726 32397.8931 1731.3086 92099.1212 25416.6591 25005.3277 4699.1346 34833.0818 86221.3011 227.1411 218.3070 1875.8762 23298.6653 3734.7945 2079.0418 11556.2374 371.8338 22849.5000 3778.3630 18094.4183 7627.3471 28296.7232 329.3120 19637.7751 17371.1268 40639.4944 497.5339 21244.1152 16369.6023 17717.0111 3829.8337 26172.9009 815.9379 34967.3627 201.9319 21375.8079 25756.8384 443.6677 49128.9436 6149.4886 17542.7914 8813.4390 21151.7965 22168.7370
4_6-Dimethyl-1_3_5-triazin-2-ylamine 5584.3672 382.0008 6548.9370 4263.7511 1477.0894 13645.7300 9771.8257 5649.4137 1336.2852 427.9794 1702.6884 1747.3687 4925.1046 3931.6255 6112.1701 5837.7909 5222.0582 3538.1008 2333.0321 6792.9918 2884.1934 5775.3339 7196.9530 1167.9103 5685.8139 1748.4863 1612.0211 4024.8316 17258.1014 826.0919 6003.1621 8767.4508 3560.3351 28134.8108 330.3603 3534.3843 360.3108 13182.4058 2120.1998 370.8459 5847.4477 3894.0704 2729.8505 5616.5486 9006.0546 6791.2128 358.9771 7330.9306 2681.5553 5941.0950 6598.1115
4-Acetamidobutanal 545.2979 372.0249 9777.7086 12641.8591 112.8364 1122.2489 19190.0703 6469.8626 15348.9911 116.5051 254.6954 6320.4921 11458.0663 443.5953 32183.5048 305916.9349 15477.7190 9944.5438 13603.3182 27265.0122 3143.7371 281.8026 27160.1486 17279.0368 1806.4566 22158.7299 121.2860 2248.4061 1310.6214 40882.6507 257.1914 407.6030 9580.2901 7282.9613 18921.1961 588.6721 5792.4356 1677.1227 3329.0090 4192.8846 307.6445 9823.4168 117.8382 229.5831 21864.9181 3481.8823 6137.3982 30457.7116 19245.4090 22484.0990 22025.4570
4-acetamidobutylazanium 3363.9203 2814.8775 3803.9101 6485.4039 1081.3498 7183.8031 2558.4027 1567.4808 3475.8306 3697.1653 2396.4779 1531.6696 2811.7584 4144.9338 2357.3959 2764.1547 1061.5712 2633.0309 3172.1674 3384.4185 1251.2661 2076.2841 3525.6874 19875.0081 2819.3629 4398.3439 2853.5734 4981.3149 3912.4025 1414.1504 3918.1505 4231.5990 12499.0540 3167.6541 2986.0491 520.5338 1720.9653 4633.4653 7141.4857 2181.4837 1754.5375 2984.3270 3590.5881 1491.3668 955.0997 4658.8560 4731.2609 3830.2813 2500.9133 585.3725 2632.3940
(4-amino-4-oxobutyl)-(diaminomethylidene)azanium 11205.0650 540.3443 1364.4920 1438.8038 573.3566 903.4496 98.8918 1353.9358 1625.4295 1079.4590 416.9607 200.3892 199.8213 3201.5329 219.8793 4806.2533 649.6869 1575.3106 2545.2805 232.2032 100.9713 1187.0635 1389.5945 3299.2076 1417.4309 1107.6083 1023.6653 3442.7261 406.1253 1975.4209 19604.3266 2133.5161 1308.1636 558.5763 2639.1866 2160.1342 2523.8323 2048.3285 1590.5810 963.9473 5156.2944 739.2046 787.7441 3685.4933 112.3735 492.5558 108.9787 778.4759 3338.1264 864.5810 3036.5037
4-(Aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol 518.2951 1018.4681 253.3468 488.9198 1357.2991 2055.7209 1323.0716 574.6025 1218.7440 1981.4686 1341.7384 1014.4928 574.6043 293.3224 879.2810 159.0160 794.4841 582.5255 1647.2472 1883.9072 1459.5934 425.5492 1298.1874 706.1119 625.7469 873.2135 781.3405 1821.0987 984.7579 1093.3030 2838.0969 1055.7073 592.0516 1717.1274 595.8572 773.3096 1848.7072 526.7343 2414.3709 934.6220 3209.9416 998.6583 843.7833 2874.0189 15133.5704 1074.5549 866.7210 744.0344 1501.7464 1234.8782 2752.8230
4-aminomethylpyrimidine 110676.7858 83100.5168 88708.3337 92763.2490 107706.8928 108120.2620 137872.3356 84995.6266 43954.5619 44368.0189 60792.4594 99249.2006 129419.2355 78360.6829 156854.3031 88438.0874 105986.6494 17103.8889 18282.2635 155006.6918 40754.7607 134294.6728 160845.4485 80563.6928 101058.1248 10025.5313 102469.7199 44849.8856 103681.0080 54082.0378 79019.4960 134675.9267 68739.2052 109168.3986 79121.7617 40792.2086 47317.4271 96193.4315 74633.9742 75531.4300 47749.6614 73563.4896 82975.7850 70107.4243 162119.9066 110478.5326 116941.8090 131317.2237 26543.9723 37868.3175 102526.8385
4-amino-MX 1833.0173 1022.6354 2353.9816 378.0735 2235.5412 1769.6864 1239.5847 2185.6338 1507.6909 1954.2136 243.2663 5657.2367 2133.3105 2862.6298 1438.4849 203.5028 1745.2284 1639.2393 2232.8552 1180.8127 687.3753 1591.1043 1928.3631 1938.4385 1587.3661 212.3996 2153.9783 2191.2032 1124.1726 2307.6122 1290.6453 1946.7682 239.0032 183.6865 1382.9614 1745.1120 7278.7108 1457.5561 7339.3596 2331.5918 15233.8387 1242.1828 2995.2779 171.0231 1668.1739 198.2431 2306.9045 228.9741 906.9808 2663.5178 1584.4432
4-Amino-N-(3-methyl-2-butenoyl)benzenesulfonamide 7892.4569 5642.1497 10154.8709 5083.0613 5295.4608 26872.3949 8148.9036 5846.6874 5135.8343 4829.9262 4688.0822 2090.3362 5575.1868 3588.7969 6439.1119 10576.3862 4240.7757 5091.1915 4124.2468 10156.9662 7419.9938 5152.6320 7100.1707 9567.8411 8649.4467 11120.1241 6074.9071 4417.4291 12332.3707 6236.1149 5658.5233 11057.4631 6820.1711 4768.6366 9574.8291 8033.0983 3751.0291 7747.6623 6348.8494 5296.3932 9383.5275 5597.5330 12085.8588 7121.6641 5229.9729 8309.6441 17170.8157 18168.1829 4710.7495 7609.0278 3991.0589
4-Aminophenol 804.0187 741.6415 207.1946 248.6226 1261.1576 747.2528 742.1986 1733.3304 1420.8141 1474.8278 860.0396 846.3315 334.7026 735.3114 792.5476 1356.6264 653.3614 823.1707 1030.2309 738.3263 810.4419 834.1741 866.4933 1203.6213 477.3681 1088.0482 278.5558 178.9431 647.5797 1610.7929 878.3159 186.2216 1064.7175 1041.5785 906.0938 1393.8354 1068.0064 831.7512 995.2943 883.5614 2462.5229 848.2692 1178.7185 1103.8581 1153.9407 491.9210 810.3921 817.7594 1687.7501 1419.4536 902.1578
4-Aminopyridine 12080.1943 5522.7166 25379.6958 33525.5347 15990.4785 18627.2557 314.1009 1741.1616 5721.8184 13981.3645 81786.0092 26697.2864 16352.3178 79105.2847 638.0853 676.0037 1333.7929 30776.9614 31913.7947 12615.5118 28820.5000 95432.8498 13830.9301 1681.2116 2411.3685 12821.8224 188.5888 52105.6932 127.4356 3646.6689 17989.6699 1720.0945 71.4562 890.3197 10982.0012 2971.8461 409800.6366 700.0629 63132.5961 27787.1502 3631.7510 4122.2241 255.2163 30910.5442 77.0451 4027.5948 725.9081 82.4892 1267.6633 41842.8358 3511.7425
(4Ar_6aR_6bS_14aR_14bS)-4_4_6a_6b_11_11_14b-heptamethyl-2_4a_5_6_7_8_12_14a-octahydro-1H-picene-3_10-dione 346.6572 16403.4270 13005.4887 362.1331 9410.1456 7527.5092 8521.1329 15464.1825 702.0970 13230.0534 13085.3969 1828.5630 13570.3948 33218.9136 16478.1901 311.0083 8481.6582 5334.9613 331.0522 12530.8715 24329.4663 8814.4840 6543.1315 18198.2676 18373.9715 43031.0395 1818.3548 41436.1353 7590.0295 2861.7058 17325.8110 22552.0329 16268.2335 17880.8273 359.8903 195804.4101 436.0682 3201.4111 43582.1885 83542.2177 27863.2147 4659.2241 12694.5530 15380.8874 15318.9157 1141.0829 15161.3466 17430.4219 325.5555 4965.7088 376.2789
(4Ar_6aS_6bR_8aR_12aR_14bS)-4_4_6a_6b_8a_11_11_14b-octamethyl-2_4a_5_6_7_8_9_10_12_12a-decahydro-1H-picen-3-one 751.7918 1604.6634 759.2188 652.3614 725.7177 677.1893 604.2469 278.9806 1181.7219 1979.9514 1131.9020 146.6056 271.8771 133.4272 741.0753 199.0482 704.8571 1154.1509 2697.4908 665.3013 2266.7666 963.8762 782.1668 836.1521 160.7731 1048.2250 991.3554 1058.4562 914.6610 2957.7997 268.5640 816.7188 1797.3415 950.7233 727.0286 1515.9714 1885.5606 139.2555 152.1368 1276.9401 438.1119 722.5631 318.5866 845.2517 712.2083 715.2022 2552.5942 709.9085 446.3890 817.0845 670.9047
(4As_6aR_6aS_6bR_8aR_12aS)-2_2_6a_6b_9_9_12a-heptamethyl-10-oxo-3_4_5_6_6a_7_8_8a_11_12-decahydro-1H-picene-4a-carboxylic acid 356.8202 395.8785 1113.7023 340.3819 408.2199 5439.2029 410.5768 904.6671 608.9237 794.2822 15249.9135 269.9108 289.2277 2408.1372 515.0792 399.1817 312.2957 622.2029 415.4737 590.6101 1027.0708 266.3196 315.9942 2774.7664 757.0609 550.0465 17289.8129 2937.1880 409.5875 678.1449 603.4184 1333.1602 339.2972 10803.7998 410.4525 1696.7668 352.3981 588.1234 1076.3873 831.1221 829.4326 317.0036 520.8495 594.1115 325.8463 454.3574 372.9053 476.6717 378.3688 457.9586 814.6086
4-(Benzylsulfanyl)-3-pyridinesulfonamide 47825.9416 675.6019 30794.3369 5463.5439 9666.3348 40148.3319 20634.6457 45657.2952 9404.0155 1033.9918 11071.9270 46806.6821 3292.9489 11626.7738 5135.9287 874.4511 7565.2026 6368.2058 9748.1874 756.5056 2094.0759 7181.6652 22071.2553 1618.7216 7273.7028 59897.8067 6293.4740 13983.9761 44820.2524 1594.9559 3533.7935 61612.8594 22457.1783 14632.7122 10118.0159 12815.0712 15253.6645 2516.9805 4673.3111 3279.3193 13986.8214 1118.6032 2995.8545 10392.2771 6320.5887 1742.9279 11349.0990 8476.0172 8425.9173 34137.2437 11082.7029
4-Bromo-2-formylbenzonitrile 3383.1020 1086.6846 2162.1628 424.5521 5441.6150 1790.2074 4718.1754 3868.5712 1392.6347 1379.8343 689.5135 4138.8686 1189.3677 585.9869 7135.9397 3151.7574 908.0730 5801.1703 1760.2584 2468.5392 1447.1027 1015.4669 294.9567 5190.8431 5535.0626 697.8712 2895.6094 377.8630 4095.8866 954.2866 286.5848 3612.8280 3197.0577 4032.5544 3216.9758 4308.5778 327.9024 2325.7826 1914.0026 4797.1934 3447.2100 4750.4085 3786.7628 3680.5127 5939.3168 4116.9117 2407.9495 1659.1758 1828.2761 4736.5798 615.9274
4-Chloro-2-methyl-5-(4-morpholinyl)-3(2H)-pyridazinone 543.9249 672.1798 847.2717 1510.3857 361.3952 770.2841 1090.7699 712.4817 683.0325 1108.9765 467.4053 136.8776 1372.9385 726.9314 1008.8864 1082.7663 627.9357 654.2142 734.3194 853.0324 1292.9374 1090.1974 910.5620 697.2370 1485.8990 1066.1525 1097.1271 627.8683 964.1838 335.3058 1071.1471 1551.7613 851.4863 535.8913 604.5962 925.7248 159.6741 792.0167 622.3649 910.2349 863.8254 383.4822 769.3007 707.1461 1066.0709 278.2777 1297.6039 1635.2158 1084.0936 1159.6054 122.2629
4-Chloro-6-methyl-2-(methylthio)pyrimidine 1595.5153 2177.9577 2117.7123 4487.8102 954.5229 1624.8540 259.2691 1942.6466 1659.5855 2920.4604 2944.2646 736.9474 1013.8069 270.7938 253.4295 1805.9116 2975.7355 2686.9232 1553.9974 1639.1051 3725.4309 2340.9680 1662.8186 3089.9964 4870.9757 3651.0173 1362.5416 4324.3088 3948.6912 3116.8894 2964.0662 2413.0006 4040.0067 2202.4656 4315.5034 2746.5647 4802.6776 1507.6127 3211.9918 2065.6945 2607.2279 2894.7074 2567.0648 3650.5063 1739.8914 1770.9372 3097.8704 425.7037 2740.7141 3686.9477 2027.5916
(4-ethyl-2_6-dihydroxyphenyl)oxidanesulfonic acid 2019.4897 1490.2488 1902.6327 2883.8156 985.0432 1854.2666 352.7163 2062.8337 1676.8142 2609.6409 2477.5532 897.6495 1486.8183 503.3404 616.9014 2288.5235 2767.3521 2377.6088 1036.5874 1386.6747 2001.9056 2573.2117 1608.1871 2280.2933 4078.9588 3020.4289 1166.7748 3513.2087 3305.7624 1567.1361 2586.6714 2647.1802 2166.2291 2695.9112 3383.9008 2494.2622 2478.3452 1381.4843 2170.4463 1765.3359 1456.0207 1796.8804 2341.2823 3369.3196 479.2240 2133.1875 2762.0705 646.9179 1571.0023 2997.0625 1770.7316
4-Guanidinobutanamide 3030.4994 1208.9091 321.2481 223.2449 3288.8496 103.8106 373.8490 550.3316 3522.4829 1945.1297 5475.2658 3723.8119 2742.9393 3667.7779 2813.9845 254.0776 600.3638 3111.9665 8579.4074 904.3627 36905.9946 2964.2719 2530.1773 8993.1695 391.2399 208.7048 814.3580 371.7227 114.0144 103.5729 227.2583 2300.5404 11885.9516 1563.5008 2531.8805 15458.6999 12327.9342 10731.1588 18449.1077 10114.0441 9607.4416 7142.2697 5740.3353 850.5605 2702.3436 96.6708 97.2139 2609.4090 704.5455 482.6913 890.1451
4H-1-Benzopyran-2-carboxylic acid_5_7-dihydroxy-4-oxo- 2677.7935 1890.8561 790.5025 1717.1031 2714.5129 1109.4738 1932.9850 2212.4701 1232.7720 390.1955 1290.8001 1394.3090 460.1751 1402.3509 2597.9152 1843.8918 1539.4151 3933.5577 698.8926 247.9565 2220.4889 677.7556 3279.9232 1007.6631 2407.8684 677.4694 1851.4110 1199.8724 2556.5454 740.1419 413.1045 3146.4727 2679.3649 2528.5561 2540.4064 2345.1295 578.8272 3005.8026 1240.3464 1529.2965 1119.0472 857.3801 5474.7239 388.0560 2667.8515 1496.1428 2007.8953 880.5984 2735.7406 4621.5633 1935.3022
4-Hydroxy-4-(3-pyridyl)-butanoic acid 6783.8569 27710.1087 1041.6889 9055.3861 970.8973 411.7395 129.9679 3463.3967 925.1063 11751.4838 4059.3958 3929.5204 281.9081 1699.2894 978.2467 884.9407 10490.6595 5068.5873 16033.3610 122.8144 35624.9159 670.1690 1936.4128 13620.8518 7922.2917 1540.4342 6291.2255 379.2059 750.7167 7977.4268 7397.7579 175.9467 12700.1065 1793.0143 8959.5663 18158.1438 24415.4604 780.5087 19489.3776 13885.5343 59565.7726 51860.9188 14264.0141 9101.1282 494.4762 2025.9478 1182.4658 296.1301 72062.4769 15081.1685 4467.2677
4^-hydroxymephenytoin 1213.5346 1074.4271 1028.5758 1871.3637 990.3791 963.4375 937.5471 1085.2750 976.1259 1687.2943 1229.8155 1101.6874 874.1890 843.3431 314.1487 1834.1875 840.8284 1040.2345 904.4608 803.2325 2497.9698 1196.3066 850.2408 966.4656 706.6621 1242.2580 1384.9796 1489.9357 1366.7380 2886.9405 1213.6812 1089.9367 1754.1937 1137.1749 585.8400 645.2863 2305.0377 1204.1427 792.2368 1271.8426 2554.7747 826.6472 1623.8969 869.2756 361.7878 622.5326 1793.6564 885.9504 1314.7976 139.4307 881.1481
4-methyl-5-thiazole ethanol 11844.7740 520.4901 459.5218 275.0973 3516.9909 5581.4480 66701.2016 760.0112 594.7711 562.8987 1765.9573 205.8153 366.8033 298.9373 336.5180 1099.6395 352.0536 1061.8602 1607.8464 7061.3827 14549.4950 308.1863 218.8167 658.6253 1037.9666 1181.7364 896.2517 694.0665 353.4698 459.5343 10544.7108 6765.9702 1866.4186 15348.0116 410.8716 10178.6947 2977.0133 524.9496 3123.7197 1114.4967 77818.7441 412.8202 172.3483 48982.3269 290.5819 1004.0718 369.8766 237.1883 764.0187 4565.6317 316.7088
4-Methylpentanal 4422.3177 4332.4917 4281.7492 5082.0727 4393.4901 3541.8535 5412.7322 4001.0772 2796.1868 3092.7780 2815.7030 3936.8482 4413.7522 3971.6543 4392.6763 4639.5415 5020.7846 1902.1144 1938.7144 5482.1498 3408.1104 4537.1058 5593.0437 4213.9003 4674.9506 2238.5041 4488.3584 3421.3394 4138.0386 3562.9820 3255.7301 5254.9238 4136.9972 3699.4738 4722.6789 2660.5387 3609.8208 4500.1357 4310.9679 4086.3206 3838.5615 4186.7193 3229.2656 3386.7833 5977.7429 5139.4792 5382.7863 5632.7177 3336.7449 4816.9494 3596.4620
4-n-Heptylphenol 4290.6543 5015.7008 3481.4774 5241.4179 5206.6131 6477.7142 6488.9003 4782.2765 4228.0013 5043.8082 4240.3093 5578.3346 3558.7141 3000.6059 5472.3517 4018.5138 5421.1491 4495.7867 2661.9670 4782.4226 3855.0424 5398.1446 4047.3113 3547.7973 3631.3332 936.4624 5716.1753 4456.7500 5294.4761 5470.2735 6069.4683 5307.0995 5154.8810 4219.7485 3753.0233 4017.4260 3432.6963 5972.3797 4081.2353 3925.0341 3628.5756 6709.2739 4965.2298 3435.3594 6199.2254 4716.0167 4111.1560 5830.8234 4205.5616 2824.1151 6708.7088
4-Oxododecanedioic acid 3500.5988 3244.7819 2487.2424 16707.4247 10066.2464 9031.5125 4556.2819 4370.8231 2774.8651 23388.8782 16241.8914 5207.3839 2716.0857 11313.2512 5186.4563 1771.3660 6737.4405 13591.6407 19610.9015 2789.1651 29367.5796 4970.3581 5428.0228 4253.0804 3191.7367 2912.8768 13239.6940 3162.1418 1760.7828 6522.3234 1752.7442 8262.2410 9248.7904 4023.7006 4711.5938 9085.4253 11020.8404 6973.5346 15705.0938 9509.9459 10338.9212 14952.3197 23848.2777 17723.5247 18094.3273 4265.8722 14492.6715 4712.8735 12483.5564 11292.5471 7569.5228
4-Propylphenol 32700.8857 37045.1459 36905.3248 63398.0817 34016.6297 41287.6533 35810.8821 32815.3548 40632.1510 45085.4238 33708.8210 38594.1818 30051.8665 43409.4079 35738.7610 40640.2308 39241.5076 35371.2881 52025.4172 39644.9549 34400.1033 38828.0346 41442.2622 31455.2195 27684.0747 33021.6059 38571.5439 34045.1434 44063.9977 35189.8680 38904.5055 62112.3882 29091.3350 38895.2815 35035.6404 34949.8479 27705.2654 33911.0359 25001.1978 27046.0870 23779.6187 33681.7253 37689.0033 20388.6814 46485.1024 40729.4116 30655.8388 35328.7682 38632.4709 34370.1480 37906.1044
4-Pyridinecarboximidamide 19148.6791 261.7755 893.8362 11754.2492 51818.7240 21905.6331 105864.1142 4472.8557 648.0553 411.5301 724.2996 24303.9351 25080.4732 24945.3234 547.3764 1521.3476 16461.3195 608.9757 454.2669 18145.4958 1006.3593 284.8908 333.6052 824.2300 3803.8261 5762.9596 481.4036 14953.3392 6614.3628 4170.7801 96415.1988 29512.9137 6948.9799 1159.9640 2373.9355 1440.6363 355.3959 372.4157 1060.2364 1952.3168 246258.9492 137.5487 2442.8216 8503.1533 18095.8867 1346.2782 1773.7113 1176.3464 8096.4676 32895.9121 16436.6626
(4R)-3_5_5-Trimethyl-4-[(E_3R)-3-[(2R_3R_4S_5S_6R)-3_4_5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one 3171.8654 3598.3405 3138.8921 4120.3477 3266.6805 3185.3442 3877.0037 4489.5057 23740.4099 1855.2817 12512.0789 3972.8732 3347.6053 3055.9448 4819.6512 2908.7322 3323.4721 24463.3471 5813.0735 3817.5661 2360.8716 3712.9842 3115.3588 3552.1002 3476.2064 19951.8843 2683.0581 2492.7573 635.2937 116.1643 106.3570 3785.4981 3472.5618 1289.6072 1776.6524 27752.5299 2030.1557 1158.4096 2088.4099 105.7179 2868.8002 393.8348 578.5448 1641.7390 3212.0468 3368.4021 3441.6031 3416.1022 3199.0245 3178.2680 7752.9760
(4R_5S)-4-Hydroxy-5-[(1S_2R_3R)-1_2_3-trihydroxy-3-phenylpropyl]oxolan-2-one 3575.7520 7843.2573 3759.5156 3733.4369 3919.5364 12983.9355 5325.7843 3267.2197 2772.3786 2413.6739 2376.8825 6766.0931 2543.7648 3270.2103 4466.5565 3984.7783 4533.1499 3198.4048 2168.4030 4943.5860 3369.0540 410.9859 7142.6452 8956.3362 2103.1295 1008.0350 3071.5763 1091.0984 3304.2198 882.6847 3778.9656 886.9555 2688.3421 5929.1854 1625.2989 3216.7269 469.4678 3238.0242 2531.7783 3204.8854 3375.2728 563.4499 3885.5717 3535.2265 1647.8919 7529.5567 548.7925 6879.1436 3545.7768 7780.6027 4317.0595
[(4S_4As_7S_7aS)-2_2_4-trimethyl-1_3_4_4a_5_6_7_7a-octahydrocyclopenta[c]pyridin-2-ium-7-yl]methyl benzoate 813.9012 11684.6429 3123.2433 6878.5701 33377.5684 6201.4094 249.6360 240.8820 30376.3648 91025.6031 1127.7940 476.4903 290.9501 15803.2263 4790.5883 13486.6729 13643.1184 8307.2086 1741.7153 287.5476 15617.3967 7582.6853 15526.7199 21083.6513 477.1348 3917.6578 27325.7795 7979.1575 1729.3492 15137.2677 20506.3577 4499.8765 1864.8038 3838.9960 1841.9057 608.2071 2011.1187 16222.9196 280.7402 27138.5016 182.8936 7096.5097 222.7979 1651.2271 30334.9257 16973.1714 2966.1975 12398.3391 2624.5902 1972.0085 91273.3957
4-Trimethylammoniobutanoate 19184.2471 27100.6417 22221.7298 18600.6193 20398.7837 17837.4319 19286.4827 20011.0818 33406.8885 29400.1234 23132.6824 14722.6337 25012.0945 19477.4454 21619.6445 21001.0458 21785.1706 20846.5410 18543.4882 16602.0944 18945.8456 23818.1537 24801.4931 20768.2686 24574.5737 21332.0137 21333.0099 19592.9481 21364.8859 17996.6013 21071.7568 21747.5988 22520.4362 23506.9545 22093.1520 25042.8344 29817.7394 24061.4407 30088.2459 29216.9559 19055.6242 19234.7613 24959.6361 24889.1020 25699.1257 19674.2309 22216.9812 17998.8918 33723.5572 22649.2437 19228.0174
5-(1_3-Benzodioxol-5-ylmethylene)-1_3-thiazolidine-2_4-dione 415.2721 1108.6848 1112.2112 653.0108 1132.4959 677.2661 818.1783 360.9570 434.3801 660.5961 683.8183 688.1315 1366.2605 238.3623 1408.1059 594.3788 154.9722 651.7096 381.5663 1307.6378 709.9982 190.1551 242.3731 677.3000 831.0553 607.1783 180.8186 608.7543 692.6356 723.3991 407.0016 449.9068 386.5235 1383.9628 318.8545 659.6262 577.8557 599.1784 713.0320 496.7706 640.7646 624.1593 2445.1903 754.7196 1663.2423 761.6659 179.6338 446.3541 452.7265 660.3985 735.1618
5-[(2S)-1-methylpyrrolidin-1-ium-2-yl]-1H-pyridin-2-one 971.6120 351.8978 1741.9231 1538.7881 2540.1211 1546.3011 1569.2785 354.7223 5864.1604 319.7560 1364.6876 1989.8917 1925.4253 1610.9082 1626.4070 1071.4171 1706.9087 1419.2956 1624.4528 356.5957 2413.4028 1615.4933 1436.2980 619.5426 3105.9792 1121.8810 6124.8140 1376.3302 357.5058 361.9679 347.5501 443.2589 2256.3460 2046.1548 2199.4604 3224.7349 456.4982 5368.7689 1684.2780 2876.4054 915.6111 7790.7887 4563.5247 983.5339 2195.2913 1499.6256 439.8173 1219.4961 2210.8736 1913.3942 1689.7585
5-(3-Phenylpropyl)-1H-1_2_3_4-tetrazole 315.2537 1057.2059 807.6594 137.5924 895.2091 567.0606 1333.7598 593.6592 215.5571 965.4922 668.9692 256.7271 745.9078 117.3029 2200.2637 423.7220 566.9233 369.0465 786.1775 6489.8792 1882.6750 595.9494 1157.0310 655.7197 1758.9743 527.5176 655.1499 158.3972 650.8968 762.6587 948.5035 656.0029 761.4531 868.0883 1026.3863 1002.0652 751.7539 732.0042 136.4364 280.2727 482.5904 740.1903 149.9670 3996.1834 662.4238 120.3387 641.1855 747.0691 566.9110 1010.8482 1060.0098
5_5-Diethyl-1_3-oxazinane-2_4-dione 254.2793 1373.1198 615.0927 3052.4487 1230.8886 1538.4687 577.6969 5553.5910 999.6635 1776.5785 2522.1095 60.4736 449.7210 2748.7387 1261.3228 3207.9771 1064.6685 141.6933 19915.6729 699.7051 5501.6242 867.6581 60.4032 1410.3243 2547.4678 1331.2786 4508.2568 1275.0152 1361.1061 7641.3030 3521.9022 3001.0302 4695.6858 616.0943 847.6491 2334.5638 4520.6964 2184.1510 6311.7130 14145.5441 11086.9639 1201.7581 7851.7843 1436.1743 150.8799 3381.5033 1082.6726 875.0442 3663.6478 3492.2240 486.5083
5_7-Dimethoxycoumarin 648.0480 6629.9710 4955.1353 681.7575 1487.5956 4195.1471 4495.0234 210.1684 4542.0519 1401.9955 1869.7199 3989.1208 3860.1948 4916.4926 3256.1542 3920.5202 160.3183 1368.3012 1243.2489 2670.0394 9535.8065 3354.0129 3730.4520 2515.6258 4830.0248 4992.4316 5362.4427 1376.2810 664.0953 8740.6440 5603.7058 3661.9436 7174.7955 4076.9582 1675.7959 6887.7574 40426.8201 7639.9485 35451.8208 309.4666 10467.7975 9149.4496 1538.9980 4753.1848 3048.6211 4021.0991 409.9681 2901.0171 7929.3888 5193.9192 155.4566
5_8_11_14-Eicosatetraynoic acid 257.2942 1091.8689 479.7377 305.1312 866.5107 769.5965 720.1359 1154.0974 310.9030 772.7945 539.3724 995.8863 991.3985 909.7998 143.3594 180.5087 944.2765 1077.2142 1088.6647 668.6124 1167.5741 1153.7820 793.7999 2287.9551 185.7456 1344.6363 989.0730 770.2920 1047.1200 1130.4291 1449.0358 717.5886 1119.6820 1123.4307 628.1311 377.9597 1282.2961 1084.4478 3639.1850 2300.0152 1788.2937 932.2743 5379.1562 917.9646 687.1734 1135.0506 154.1749 391.8665 107.2805 954.1678 758.2430
5-Acetylamino-6-amino-3-methyluracil 19863.6802 138779.7849 9766.3618 6604.1878 1835.5092 24280.7989 34665.5690 26514.1983 10558.7556 10607.3055 1141.6113 7047.3367 2352.2572 525.9114 14622.6943 17076.3726 1446.5032 46884.5624 44673.1887 1881.4713 7415.8072 16736.1794 18537.0235 19754.5968 3166.7529 1994.9278 36076.2517 274.4159 17935.3963 14441.4570 17266.8743 24032.6746 24111.4272 2275.8378 7154.5698 20520.7409 4755.5542 45924.0384 34649.3503 16330.9550 34936.6179 52314.8600 22812.7977 20691.3894 23782.8474 5092.4053 19002.4060 5448.0593 5588.7090 22262.8878 38887.0948
5-amino-2_5-dioxopentanoate 409.7015 701.7021 908.3622 657.8215 527.5762 948.6047 989.1714 549.0993 615.1437 756.9114 543.3174 942.1787 654.0363 764.7220 457.7097 226.9076 133.1403 709.8310 611.8046 956.2410 620.4474 825.2181 5298.5545 1623.3688 310.2653 150.9549 421.7864 662.0879 666.7823 673.2063 805.5056 765.2786 842.8390 467.3546 247.3618 707.2971 670.4697 283.6136 371.9650 653.4693 634.0271 422.9009 1020.5412 757.7970 1313.1172 752.6395 112.5244 1418.8934 349.9278 545.3678 829.0117
5-Bromo-8-quinolinol 1308.0575 1741.0050 970.4958 161.0096 1455.2611 1011.0521 968.4083 228.7765 615.0740 1562.9945 2094.6117 1326.8740 1028.9399 1429.3402 1400.3994 227.5443 1363.3117 1453.3658 1838.0613 1056.9880 1639.0900 1223.7123 1073.1223 5760.3415 1779.5085 101.7261 1273.6865 1566.9013 343.2179 1685.2337 830.1238 986.6520 787.0413 1597.2283 1322.0800 1502.8802 2009.5587 1408.0790 3744.8517 3423.7556 2151.2058 3613.3527 2835.4357 2224.7649 1192.8108 1075.8179 266.3018 1190.2674 888.3833 1140.7448 1162.8972
5-Chloro-2-(4-propionyl-1-piperazinyl)aniline 4377.0302 3711.9034 5478.3443 6845.3499 7522.4671 14634.5744 4471.5744 5822.4390 3489.2871 2261.5082 2251.1393 1483.3585 2986.3761 4204.5324 3272.3536 3567.2028 3740.8246 3388.2268 1687.4027 3239.2965 4061.3219 3357.0532 5189.8014 2809.9825 3596.4742 4642.8620 4058.6899 2421.7133 4711.6895 5854.2550 4355.1598 4726.5899 17055.0010 1956.4323 1396.4213 4491.3820 4388.4576 4015.1518 3953.0540 679.9623 5400.2701 2896.2257 3924.4754 3634.3467 332.3915 384.3055 3626.3851 3700.1891 3200.9144 3923.9728 1568.3745
5-Chloro-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide 16799.7938 5447.0764 5406.1634 2817.2552 7065.8745 1470.2190 5944.9096 10674.4333 5122.8953 5921.6587 4906.0093 6532.5129 5188.1402 699.4082 7422.0917 8940.1730 6031.7927 5425.1596 4255.5835 6441.1751 6054.0937 1557.7670 10187.2633 7330.2184 4684.0016 6183.3731 4589.7705 5443.5547 4667.2268 6328.5347 27377.2416 9035.7563 5305.5787 12347.4822 3661.5461 5821.4408 1304.2108 701.8221 5943.7349 7162.2988 6788.3105 5419.3207 7525.7017 3567.3783 7870.0915 13385.6292 13901.1770 5256.3156 5810.5154 4595.0558 6499.0464
5^-Deoxy-5^-(Methylthio) Adenosine 16202.8101 4127.8756 4881.5320 17365.4997 7894.8228 14607.0815 14237.9357 33747.1807 22998.4514 17872.8467 2545.0283 18645.2232 11663.9067 1763.3038 30519.6083 8687.3386 8304.3550 16280.5221 43697.7304 27206.6214 130.1517 20155.1431 29851.8035 11734.7152 33150.8891 15555.1376 14221.2591 358.6698 25067.6590 2103.1657 37594.1606 22145.6747 3510.6475 12577.7428 20548.7655 5425.3495 628.8447 10728.7454 3829.8837 2819.4180 1134.6610 11962.5088 4498.2905 47227.8366 30756.0208 7531.3510 126.5898 30738.5828 1909.3510 39595.6108 20323.6303
5-Dodecyldihydro-2(3H)-furanone 1275.2894 2390.8020 1064.3747 927.6169 1729.9012 933.0624 797.3371 246.5339 601.7890 4109.0419 1808.0566 267.3437 1865.1395 1380.0785 244.3488 256.7882 1073.0506 241.8320 1836.1492 380.6167 2348.2472 2365.7271 466.5564 665.7923 2706.2359 2081.2605 2077.1235 1787.2495 1288.6038 1772.9642 2029.8042 287.2825 903.2956 2122.8681 426.0442 2617.0865 1904.6977 7934.9062 1191.1097 3649.4628 552.4920 2577.4700 6051.8034 1596.1756 867.7853 271.6985 1859.2242 613.3441 2162.8159 1635.1586 1084.2382
5-HETrE 975.9989 3864.5013 736.0419 4135.3166 1260.3548 472.6083 1824.8233 189.1538 1457.2888 3134.1804 667.1352 1263.9599 6714.2815 3174.0220 1801.5433 7437.9577 662.1057 986.5753 634.0253 727.5451 1210.3380 3533.1665 777.6488 919.1638 999.8284 1860.0822 1469.0743 858.5043 4875.5513 2348.2757 1590.6045 852.9846 968.5998 1297.8890 1098.9235 886.9879 1055.6748 1122.7323 1399.5454 828.5927 434.5293 611.0544 1853.3140 1312.5541 2605.6383 3273.7819 2740.4149 611.3343 1053.3188 290.6643 1679.6174
5-hydroxy-6_7-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one 1863.7643 40.0166 8486.3642 788.6695 2287.6861 10272.2989 6907.0022 39.8187 3482.3198 170.0721 389.8715 2043.9273 3151.6020 1753.2531 4475.0943 9127.2369 88.8388 400.0093 874.3793 8490.3663 36.7237 9531.5483 209.5499 306.5926 701.9128 337.3601 1157.1046 300.4590 467.6795 328.9702 13900.2902 430.9079 2848.4303 5700.1721 991.1435 1328.6081 3614.5629 611.5521 733.5906 503.6715 81.1387 625.8890 253.5263 473.6918 800.9170 9453.5980 10293.7000 11812.2796 726.3350 761.9101 13979.6542
5-Hydroxyfluvastatin 5807.4569 5840.2961 5638.7605 8132.6500 1293.0404 5736.2441 1873.4185 4615.8713 6881.9648 7834.8782 3359.7544 5357.7574 5020.0817 10035.5189 4687.7860 2810.2047 448.0642 4369.0752 2479.4402 3528.9916 8450.0060 6276.1338 4587.7573 8423.5291 5562.2148 359.9686 1436.1014 3714.8000 5552.6153 9617.7861 9065.7415 7718.2712 2188.1759 2579.4055 5239.4821 42468.1012 4285.0526 5014.1440 4042.2167 3591.5793 23187.2857 831.3050 762.6230 1592.3490 5314.7220 6893.5969 5882.6953 3655.7284 2894.7025 3159.0333 5804.8074
5-Hydroxyindole-3-acetic acid 5438.1891 5560.8999 4705.4827 767.8586 4626.7083 4566.2548 5291.8507 2264.6813 21872.6264 1081.1101 13208.5125 748.1303 2706.8699 14911.1839 9380.2576 1016.2359 6073.1452 3494.6259 4911.2239 2297.0478 7056.6259 8292.1569 748.5179 3115.9696 620.5802 2588.2509 11207.5480 1485.5120 920.7050 4928.3936 5995.6721 3265.4813 179.1600 1865.5983 1872.2455 3814.4436 1732.7985 200.8938 4019.5472 4069.8831 861.2283 503.9838 5158.1708 4099.4665 17575.2541 594.5823 39499.3680 9130.5926 5318.1004 1163.5887 295.2016
5-Hydroxy-L-Tryptophan 1925.5861 642.3265 571.1238 764.8868 829.9282 1312.4731 1260.5100 2298.9956 1190.3282 738.5689 621.1083 1617.1772 548.6649 289.0335 306.0352 820.3070 256.8600 1139.7131 567.3567 534.1252 706.8946 630.7946 1096.3949 710.3649 248.5545 1093.1886 598.6057 837.2237 809.2986 791.3579 872.7086 1029.0191 958.5630 1219.5192 747.9647 1257.5431 787.0661 615.3163 1008.8128 266.0069 845.9315 561.1890 642.3087 885.9794 1764.2827 753.6460 655.3817 914.3228 332.6240 334.1184 2313.4048
5-Methoxydiisopropyltryptamine 126268.8827 166415.1295 92335.8634 164961.1496 178954.6129 68242.4517 54119.1468 188861.6895 65334.3818 167639.4022 154520.5608 171494.1177 142734.6906 73074.5823 219502.2902 180872.1548 207384.9568 170206.2945 128269.4282 83716.7622 141351.2216 177056.0440 96513.7349 150427.1762 197521.6343 99440.8902 166397.2518 130042.3711 66200.5591 142763.1056 51018.5018 160921.4757 138314.0767 182206.3129 180321.9658 159134.4380 106897.6522 148898.8237 144672.3533 156369.4541 132400.0325 154897.1560 169232.4650 156480.8377 231389.7830 182059.4931 39681.9246 97931.1462 146106.0298 154085.5001 173421.2658
5-Methyl-1_3-benzoxazol-2-amine 1496.8469 1044.0779 1288.9610 501.2114 1233.3959 384.2651 429.0080 1283.0335 2279.0865 745.5922 991.6767 1685.6470 277.1397 1069.4804 636.0338 1447.4593 2039.0846 299.6538 1655.5550 1778.3994 786.7087 1382.6728 3885.8947 1250.1919 1539.1382 1919.6799 1996.4433 1012.2464 1650.9538 1363.9464 1514.6332 3142.6840 1136.2223 1832.1973 1426.0598 2034.5413 733.8197 1344.5284 1125.1359 1031.5852 375.5436 1213.2215 1417.9943 1214.7166 2598.1573 1362.7868 1190.6525 1651.5097 1309.0528 474.2881 2325.6828
5-Nonadecyl-1_3-benzenediol 19379.8636 29750.6454 29599.3681 23527.2131 29199.0763 30131.5661 23144.7500 28652.0728 21638.5133 29676.3862 30757.4126 28983.3994 29174.9977 26520.9306 28951.2618 27940.1009 29525.8750 23259.4098 26039.9363 28337.9019 27370.1605 26828.7758 30952.7408 32023.5420 24503.2105 29938.2746 23701.5566 29756.2373 25828.5555 33220.5699 31471.5983 33547.5444 31892.7881 33377.9576 31988.1632 17636.7135 29638.7625 32964.9660 31570.5169 17868.9462 32440.2238 32422.8566 32071.5571 26023.1196 30244.0690 30321.5895 23871.0972 31040.3901 28410.7865 32508.6836 29766.3301
5-Norbornene-2_3-dicarboximide_N-(2-ethylhexyl)- 3223.0845 750.1448 2630.6205 3273.4792 4054.2473 3130.1630 3757.0576 3954.9925 3511.0143 3535.0652 1034.5040 3427.4106 3657.0035 4699.7260 3099.2732 3519.2848 3105.8345 4167.9344 4616.8454 3649.2387 3719.5408 620.3621 3486.1276 3477.0325 3399.3955 4795.5087 3313.7383 7214.4315 4160.7548 4386.5109 3242.4276 337.0562 366.3551 5542.1130 3792.1724 4057.9301 9259.0094 2613.8678 2201.7839 5988.3882 1358.4264 1680.0748 14310.3214 2831.9719 4127.0612 3962.3833 6320.2283 3928.5647 17444.3979 1536.9811 3453.1267
5-O-beta-D-Mycaminosyltylonolide 2365.6476 3291.3742 1858.0452 678.6858 1927.8823 1344.9500 1653.1157 1383.6288 2121.7193 3273.9397 1185.8135 961.3747 2230.8855 582.3311 103.5089 2248.7073 3962.2531 117.8484 4883.2626 1833.2993 3610.6637 2178.8395 1572.9156 2999.7159 2907.4997 663.7595 636.6072 2395.3841 2562.3759 2970.3101 2528.6829 1953.1058 3035.7720 470.0508 2012.8554 4446.2695 4637.2596 2847.8113 6103.9928 2420.7671 4144.8937 4354.7401 9825.6930 2787.3991 1701.4739 2311.7824 2372.4046 1474.5823 3982.7943 3281.6800 114.1366
(5-Phenyl-1_2_4-triazol-3-yl)urea 863.0337 8753.1666 940.2039 683.1628 2093.1029 1301.5553 1134.9316 2616.2819 1707.9302 3862.8893 2897.0953 429.8766 2292.8054 6526.8854 6553.1960 746.9629 432.2025 1664.3996 4786.1374 1889.7625 11049.2281 477.4872 2278.3229 1270.3441 2431.1113 4213.4411 1755.9430 3126.3041 1958.7089 10483.1826 776.9855 929.3636 1226.6998 3206.2562 1014.0871 1419.2951 8852.3962 2803.1226 3531.8246 3209.9228 7142.8251 1566.1193 2490.3805 1995.8359 146.1237 844.5277 1577.4050 1891.6361 876.2272 618.9034 3050.7783
(6Ar_6aS_6bR_8aR_10R_12aS)-10-hydroxy-2_2_6a_6b_9_9_12a-heptamethyl-1_5_6_6a_7_8_8a_10_11_12-decahydropicen-3-one 466.3998 11328.2789 6443.3224 8114.2968 6413.8056 6110.9197 7143.0579 27227.9618 687.9881 3104.3405 6883.6861 827.9184 8353.3672 18104.4137 5163.4774 1096.1323 7382.2510 2166.8316 1112.3242 4186.2432 11516.0248 6859.1226 7459.1190 9415.9713 8585.8271 22901.8505 1460.7072 22525.3142 4217.1807 2235.9769 11698.0021 11243.4519 7476.0679 7434.3186 1723.1139 93032.7211 15334.2182 1056.0114 22157.6705 45758.9869 14303.9023 2735.2138 16260.6289 2352.8331 210.0075 1058.7995 11684.0831 3965.3653 541.8739 2210.1442 4263.7610
6-Chloro-N4_N4-dimethyl-2_4-pyrimidinediamine 4356.4601 6797.5512 4936.4321 8669.7530 12971.2561 593.4762 1399.7872 2832.4911 195.7301 7363.2734 5051.1786 8194.3581 5347.6905 12593.0525 1951.5774 4591.5629 9804.3030 8151.9567 9277.0521 6166.8687 1152.4134 12085.3038 1009.2711 4959.8857 4942.6446 1362.7947 4608.1245 4699.0968 3586.4129 5804.1156 4656.5600 4891.5301 1262.1249 5153.6242 9823.8353 5234.2795 7609.8190 4189.9662 2768.8007 1956.2824 1729.3992 4568.0254 3473.2501 5563.0315 11191.7483 4757.7459 793.0910 4682.0210 4278.0191 5577.6025 5626.7438
6-Geranylgeranyl 8^-methyl 6_8^-diapocarotene-6_8^-dioate 598.0810 9696.3283 2549.8689 2393.7722 1721.6390 1690.6076 1804.3477 271.2219 856.5682 4038.5617 3193.5020 2549.2753 169.3933 5578.4154 1550.3728 168.5332 2223.4425 1627.2879 4910.0128 1700.4962 2944.9290 3000.2504 1875.1883 1041.8969 4637.9746 1801.7493 5579.9479 10593.4996 1603.2241 6042.5986 5771.2329 195.1038 6962.4659 1332.4988 1484.1491 851.8529 1170.6806 3201.6479 188.0010 657.6883 32417.2226 2336.4982 2977.0044 138.7513 1843.4843 2953.1709 5627.5149 935.9257 644.1839 1060.9103 177.9207
6-hydroxyhexanoic acid 2830.2487 58256.2504 3025.2268 184.6023 6103.8956 3833.0466 191.3895 16032.0024 75717.2859 65515.4239 168124.7697 244.7832 5537.2493 17477.1113 6315.5854 2541.8469 2192.1488 23091.9346 38786.4383 410.5203 738.6832 80098.7836 1359.9240 18247.4142 844.5485 41924.4816 3617.1395 97841.6406 11818.3533 877.2166 28591.7922 2804.0783 9225.8726 207416.0890 123197.8300 21618.6152 165001.3217 22078.4946 34188.9522 24025.6942 1803.7805 30835.7402 8609.8244 5476.0980 13715.1735 5959.9503 19732.6455 11308.6460 79361.4838 35627.8003 23670.0947
6-Methyl-2_3_4_9-tetrahydro-1H-carbazole 628.1755 3783.3114 2321.6358 6466.8933 4110.4920 3601.2603 3204.5537 2138.7048 526.2018 5362.2650 4708.9540 2972.3922 3970.2514 6547.7215 2654.4743 4383.1749 4159.1028 2228.6840 4298.1252 3772.3563 606.8384 2040.6531 136.1858 2858.7442 774.2077 1326.9356 1889.3539 5191.5494 4770.2763 9666.7677 5370.5986 2692.0556 7599.8112 539.6300 744.2325 13018.9655 2623.2554 1964.9722 2909.5019 13340.9464 14380.3609 1329.2046 14197.2002 4498.5583 1326.2164 3019.9995 1241.2631 9266.4426 9541.2565 1202.4143 106.7578
6-Uracilacetic acid 1339.1930 2471.6657 2649.3414 1994.8773 1084.2434 3443.9785 2864.6399 2596.3251 1759.2990 2156.9534 1883.9620 2399.0518 2427.0126 1826.1153 2492.5672 2486.9944 3249.0214 3025.9465 1696.0047 3284.4692 2208.0515 2688.4489 2881.6911 2094.6486 3139.9528 1838.7302 2201.2220 2859.3926 1891.3759 347.7641 3189.6865 3082.8629 2216.5944 3018.6577 2259.5849 953.2005 1382.3191 2007.3770 2327.5299 1291.9584 2130.2839 1655.5046 1584.4258 1987.9652 3351.7015 2177.1233 2153.1733 2973.5468 888.8901 1879.0384 3471.2288
7_8-Diaminononanoic acid 11582.2308 5056.3215 3393.5583 1497.9956 9449.6299 7788.9257 7006.6451 225.8550 20201.0154 6515.2646 20920.7141 1314.9888 11712.3942 3632.4815 6379.4466 9195.0129 7572.3759 10977.4159 8059.4266 7412.4046 89867.4086 1853.9290 7871.8913 45653.5447 14957.0883 20408.4838 1728.3964 14449.6562 14283.2043 23473.6370 1565.7878 18603.8502 8539.5862 4079.8544 1000.9683 60377.9381 62679.0719 35926.7308 32970.8152 13235.8760 26063.4562 1156.8826 5133.9741 1190.2165 5733.1428 213.5299 1574.4977 8562.3191 2810.6495 10250.4729 12634.6726
7_8-dimethyl-10-[(2R_3R_4S)-2_3_4_5-tetrahydroxypentyl]benzo[g]pteridine-2_4-dione 2483.6998 152.2203 960.4127 124.6392 743.2838 800.6118 1026.5647 701.0405 970.5632 1261.7714 565.9699 760.8558 884.4579 1010.8657 761.9045 661.6709 759.7121 760.9010 485.9823 810.2459 302.9231 767.8454 888.1759 1002.3985 403.9830 1454.9463 687.9919 1036.8788 587.2534 647.2935 4105.0310 127.3304 737.5292 147.4861 265.5456 1273.9903 183.3947 940.2975 1230.8788 159.1677 1060.6029 769.5214 523.5867 1104.5738 622.4766 844.5190 995.4674 946.3091 776.6528 779.5487 876.2933
7alpha-hydroxy-3-oxochol-4-en-24-oic Acid 41714.2329 8551.7085 39231.8613 37954.1810 45406.4183 16933.4928 11221.5470 1034.1008 1944.3222 701.9816 174014.5825 44557.4721 3089.1665 8494.3454 59624.2204 26257.3557 20173.4394 8301.9965 62126.4283 972.0376 2880.4494 39649.2873 31190.5066 95720.1323 477624.5535 47795.7843 19462.2696 39150.9054 466.5202 1082.2308 37058.2739 65844.8208 91963.9534 69853.1378 357.4241 3020.8406 2098.4252 19435.4269 79846.2775 19356.0143 4873.0000 21818.2491 159.0994 785.2313 50821.0552 674.0114 6695.3995 324.0245 642.8348 4088.9287 24266.8699
7-Dehydrodesmosterol 9701.9518 1741.3295 4102.4626 10110.9437 770.6109 5628.3545 9992.0554 7351.6669 2093.2178 16568.3833 1647.8569 4434.5593 6940.1052 64859.0036 1310.2071 3046.1931 3715.3206 8977.2407 952.0834 2346.9769 655.2305 8259.0743 2027.4114 10548.7968 4997.9787 13579.2757 1352.5418 13481.7981 4801.5267 25525.2244 12669.1533 3062.4154 5856.2462 6950.8611 1756.7063 10052.5086 8074.4942 18684.1093 9897.3010 10282.0803 2685.9813 4603.9511 2084.5549 2978.1376 1871.1565 2726.5471 11952.1152 5934.5566 1938.5450 1888.0389 1783.2014
(7E)-11_12-Dihydroxy-13-methoxy-4_5_8-trimethyl-3-(2-methylpropyl)-3_3a_4_6a_9_10_11_12_13_14-decahydro-1H-cycloundeca[d]isoindole-1_15(2H)-dione 1939.8711 5547.5715 1933.6489 6018.7577 239.6697 1620.5812 1884.6800 3722.1267 20280.2191 6900.8496 7821.7987 1462.8586 3308.5544 193.8987 4727.1856 2210.2007 684.0065 28848.0410 14022.7815 2423.4049 2716.3080 5054.2833 2434.4684 5778.4377 5721.0377 16768.9577 1822.9189 8728.9125 1058.2315 2525.2322 561.1281 4077.9586 5685.3665 2156.9281 4945.0741 23963.9327 3810.5777 596.8673 2263.4613 103.1004 4118.4918 368.7183 1702.2116 5745.7085 1982.1961 1912.9062 1770.5128 2514.4148 4108.6171 3853.8014 5634.1441
7H-Purine-7-acetamide_1_2_3_6-tetrahydro-1_3-dimethyl-N-[4-(1-methylethyl)phenyl]-2_6-dioxo- 5514.7612 3345.8433 2946.1780 3139.4417 3003.8135 532.6856 2969.4095 254.2862 4718.0333 815.6061 2017.3427 2742.5208 3357.5168 365.6223 255.4734 1692.3631 12801.4663 7345.9683 6220.8661 2417.8588 3457.1876 278.1699 3241.9587 353.6330 2093.0979 9236.8785 3136.3482 38707.9216 237.4832 3220.8826 2064.0674 2612.6951 2866.8135 1554.4127 346.9449 5129.1203 4433.3572 2038.0671 2522.9352 1512.9671 5395.5654 914.4927 437.6822 3579.0311 2238.5734 1292.5372 3134.8253 1575.2577 4292.3523 2550.6982 3642.4362
7-Hydroxy-6-methyl-8-ribityl lumazine 3796.3001 1817.3067 8468.2482 10706.6597 3105.9587 11533.0873 2654.2780 961.7207 2437.6684 7290.7201 430.6259 7673.4312 3724.4023 4248.2990 3754.1549 1434.8439 2684.4889 4465.3882 4733.3003 5044.0329 4237.1762 1907.0680 11925.2948 499.8595 3492.1637 1336.9753 9160.3557 471.7724 2518.3003 4353.2633 3992.8952 5247.1966 11396.4116 5031.2398 3619.0803 3455.1675 960.3382 1896.0522 894.7314 4364.3396 3478.1998 3381.9133 5235.8398 3363.8616 5536.9708 4052.0165 3022.1201 3239.9700 3984.9192 4327.6608 4799.7808
7-Hydroxywarfarin 227927.7719 162868.0797 200726.1859 177114.1290 193240.1335 188419.9328 239148.9434 153566.0171 151263.3447 158627.8199 169606.3757 184540.5407 246464.1999 128112.1519 243844.8293 130415.1669 225303.7711 155349.6102 98365.2124 247695.8527 105036.2644 206746.8958 257611.9561 116748.8078 192677.7573 55428.6945 191300.6968 147052.9041 196997.2009 127776.2639 155976.8026 236463.7558 103723.5298 241218.9323 194325.8670 158209.3136 107628.2375 169797.2611 121950.8134 140943.4449 97753.9079 135177.7783 158100.6988 160431.3716 243402.1440 182024.9826 189954.6219 214543.4780 76914.4477 88415.6461 188332.1621
7-Mercaptoheptanoylthreonine 2657.9115 1256.7217 1466.8797 1800.3658 1891.8588 945.8551 1215.3091 2083.4933 3030.3892 1865.0862 1304.5732 1264.9448 2559.7825 978.8036 2376.1254 3638.8710 1903.7239 1934.9375 1662.8365 2102.7087 1408.7598 2495.4450 1304.1885 3843.1456 3750.7482 3854.8771 2970.6700 1693.6403 4823.4220 1580.0089 1547.6657 3943.6921 2136.3849 1018.7712 2234.7316 2611.6294 1401.1622 2953.1120 2222.5057 1685.2116 2440.2303 1701.6250 2108.8932 3021.0880 1827.1507 3090.7363 2412.4150 1932.3150 1588.3316 3062.9168 1108.8159
7-Methylguanine 51018.6104 10417.8605 86456.3670 4339.7440 88399.7558 50163.6833 47788.6862 54854.5810 65586.2517 66773.5266 88413.0293 2358.7094 39910.1892 36047.0065 26784.6744 139505.2096 1444.0221 7155.9830 5737.7765 61028.4417 2952.0362 15449.3023 95361.7002 31705.5446 318637.1453 72619.3615 9022.8863 44599.0412 57774.8224 223800.6081 51771.3411 151432.7968 3873.5680 116493.1842 51041.9822 11901.3393 107432.8431 108906.7559 22080.9849 4718.3909 2283.4196 145088.0766 3610.5192 20507.2290 18717.3378 84338.6615 62589.3814 60903.9405 10362.8578 10602.7681 31394.8855
7-Methylxanthine 19665.0557 5711.3022 252.0446 6043.3421 7238.4442 1162.7287 8773.1631 14557.6848 9290.0004 5062.4150 8247.0294 3941.8132 9989.1281 4217.7351 5551.7268 17546.0727 3727.3276 6068.8290 9714.2857 15832.2820 11431.9520 6760.3893 6433.3099 22733.1512 19714.5965 31189.0084 10795.7516 8167.7942 17989.7775 5174.7756 6855.0825 31099.9682 19142.5575 5711.8751 9546.4767 18230.6639 2409.1318 13528.6804 9661.4683 9945.5745 21756.5008 7266.6018 14818.2778 19807.7091 3381.4398 10908.9814 17954.4646 17394.8901 8607.5096 17084.2685 2208.0864
8_10-Dihydroxy-3-longipinen-5-one_diangeloyl 1418.6226 1547.1021 2550.8213 2012.8029 1742.3645 1678.1063 2689.1800 4390.2526 3782.1452 1764.2593 3282.6011 1766.0004 1434.2519 11918.0832 1549.8952 3920.1928 1371.9470 8191.0564 2770.4574 2165.4149 2601.3844 1327.3330 1756.9135 2216.9948 1253.9898 19426.4749 3668.7470 6024.6116 2238.4001 28841.0026 34771.9438 14610.7946 3181.8157 2699.9665 4402.8752 10119.4321 4636.8940 2267.7284 2383.7145 21326.8351 3294.1049 1306.6221 2134.7727 1889.3417 3245.0225 1113.5031 2174.0401 1601.7793 4148.7930 5471.5027 2520.2505
8-(3-Octyl-2-oxiranyl)octanoic acid 2571.1491 167.3069 2106.6962 2715.4116 2264.1284 1981.7133 2465.1928 2317.7294 1465.1403 821.7358 200.9101 1845.8903 5294.1452 3268.0275 219.6384 4583.7192 181.9196 1213.4851 859.8079 2501.4071 1049.9171 4172.8628 2144.8760 2482.9168 2772.5376 2146.8661 1459.9582 1852.9642 3015.6308 5195.7011 1639.1903 3004.7932 2275.5410 5487.4941 2170.2847 1779.6130 555.3427 2488.4576 156.9862 1764.5741 3133.4853 1870.5680 3095.1515 2126.2421 1551.0270 6879.2200 4393.1471 2646.3410 1884.9092 1079.3010 2109.0487
8-Amino-7-oxononanoic acid 5618.4461 5716.7235 2809.8851 2490.1436 3177.0651 3022.3019 3920.8242 1467.5039 3936.4248 3766.9117 4494.3339 794.9670 2602.7862 7042.4102 4669.4432 4727.5736 3183.9797 4003.7746 13633.1480 4484.2329 30026.6350 3651.8578 3999.1949 3140.2365 7235.5026 3055.4585 2890.6991 5244.9337 4533.0503 1146.7959 5060.2068 5039.6800 9677.9485 3168.6832 6191.3944 5930.1620 5380.0087 5250.7847 7225.0074 5448.8327 12240.7053 8046.9480 10717.6288 4398.6974 2927.0382 3538.1830 3794.9747 3761.5399 28289.9978 18723.3822 1307.4935
8-Azaguanine 429130.6189 197478.8527 376993.4286 16611.9214 1272469.7370 271406.0801 571014.9353 242448.8912 163462.3843 452.0757 9045.2249 1639556.7200 293282.9553 188140.9506 623693.3632 298463.7570 376878.8847 18988.5841 108142.1654 497887.5230 95318.2833 281764.2085 546331.6646 7904.2746 451.3148 160137.0037 180918.2194 23550.3544 406.3894 185454.9894 164784.0204 389526.8684 195.2693 21506.3125 225003.4358 161525.8058 128272.9278 207865.3061 133762.0373 43400.7159 15381.3816 18633.2546 3085.7653 12000.9256 753183.5126 64565.4633 171136.4001 824410.8720 32284.8549 1896.2802 636335.9185
8-Benzyl-1_3_8-triazaspiro[4.5]decane-2_4-dione 2131.1577 2341.3436 2629.1950 3047.3746 1961.5277 867.7852 1963.9063 313.9288 2606.3393 3244.3327 304.8875 2225.5786 2017.5375 16738.0610 1442.9935 621.4842 2776.4507 2972.3962 269.6606 2319.7008 3354.9965 2833.6130 2513.7262 799.2405 2605.1115 3709.7552 583.7780 1329.7796 1043.3871 1002.0412 2856.8739 517.8218 1372.2322 2584.7756 6946.2956 11682.6875 12287.6667 708.6715 279.8326 642.2922 1728.9488 2921.9407 724.8820 2001.6621 2394.0888 2101.5006 2848.6254 2940.5301 539.0493 2944.7624 3312.9378
(8E_15E)-1_8_15-Heptadecatriene-11_13-diyne 2665.2314 4356.1996 1115.3883 1440.8504 1321.2331 1101.1626 984.7944 260.3424 948.0701 3114.4190 1509.4560 1198.9799 1048.5354 255.3443 1126.4804 795.8690 1060.8557 1392.6663 5013.6621 1074.2142 1293.2862 1285.4805 1035.9844 1347.2997 230.7922 1289.0374 1715.1428 1292.9767 977.5834 1006.2072 262.1008 237.9099 825.2322 438.1358 1104.9152 880.1936 1219.0383 1380.1020 3801.2259 1190.4989 3410.0298 2317.3371 1392.9461 684.2458 1041.9324 228.2140 877.2754 1014.2951 700.7216 1323.9812 1139.0379
9_10_13-TriHOME 93914.1818 10639.2553 11614.4723 390.5127 12594.2496 4282.2471 3247.7559 26851.2284 8367.7275 8648.7879 11074.3885 26953.6222 24301.7680 22356.7482 922.7829 4057.3191 15207.2569 8521.9621 13547.3906 11012.1920 15253.6814 1045.6513 10607.9753 877.4315 11719.1886 21995.5805 13035.5603 11232.4868 29340.2672 15726.0286 18456.6758 7110.9229 7794.7745 9881.4316 415.2070 12701.9709 12422.3165 15879.6854 16187.7004 17521.1299 16025.0060 23898.7753 16790.6095 11701.5134 7668.3227 5286.2821 13947.8686 7212.2752 10034.1951 14326.2177 5889.0318
9_10-Dihydroxystearate 66.2023 3893.8217 3993.0996 8588.3555 269.0609 594.2515 3485.2760 3971.3853 2053.9210 4293.9195 1289.5950 210.1151 1568.3596 6621.0851 527.1747 43055.3448 75.9622 1756.8150 814.8195 122.7315 1046.3590 3425.5904 3681.7074 60.7060 406.9997 93.9872 1321.3690 223.5141 351.3856 3563.8700 6873.7940 675.6453 1497.6267 754.5866 2234.2373 534.2518 2155.9833 1075.4390 2280.4307 1573.2516 359.9670 3941.6611 9650.4150 2781.6375 3845.7092 63.9989 988.8864 2110.6378 1270.7611 721.6979 527.7512
9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one 2727.6682 4116.7623 165.9455 4029.5942 3503.9713 3946.6864 3880.9409 11336.0711 4458.0140 4367.9163 5949.4175 3765.5528 3401.9580 1828.8015 3187.0281 3883.1010 3308.9838 186.3213 10942.6734 4193.3444 5289.0641 3510.4138 3987.4512 4707.8256 812.8784 10754.3088 2010.1468 3518.8663 11293.3552 2794.6775 3976.0870 6279.8776 4630.4479 10021.0221 4656.7299 4906.3205 928.4776 983.3784 7763.0904 3288.5718 11306.9929 172.2523 3929.1096 3685.5719 3462.0900 3513.2902 4584.5634 3461.4265 7989.9472 12597.6684 3783.7016
9H-Thioxanthene-3_6-diamine 10_10-dioxide 970.3868 1240.4960 1259.4921 1236.3556 1461.5414 834.8017 1442.8286 747.6763 1046.2449 559.8214 906.0835 974.9717 1926.8260 1312.4119 1724.8418 1517.1058 1596.6518 1244.2772 929.2581 1704.5732 850.5709 910.4010 1275.6155 701.7425 1465.5539 185.1193 1112.3950 667.7072 834.7082 633.8348 1222.2057 966.2828 1144.8369 1892.0140 1171.6978 1152.7265 773.0170 856.9648 1964.7993 1591.0533 804.3452 839.2999 1752.0048 1581.3510 2285.0253 1619.4027 1224.3721 1061.1083 1070.6232 878.9261 1262.9731
9-Oxo-11alpha_16R-dihydroxy-17-cyclobutyl-5Z_13E-dien-1-oic acid 14740.3555 42040.9582 2893.3844 1020.4337 3205.8949 24058.5235 84929.1543 27342.9180 394.3442 30156.7165 1429.0442 18948.0820 17552.2175 3234.3792 7771.8237 15855.3724 19551.5745 1105.6232 3121.8339 38277.3344 15387.1311 99.4711 577.4053 6895.8111 25322.2076 102069.3498 20231.7065 171.5180 1048.9304 1211.5797 35542.4817 79018.1911 7488.4894 13178.3092 2351.3458 9984.8852 971.5070 12176.9995 1637.3755 23042.0058 54787.7284 8014.1688 11531.7434 10737.0239 140120.7757 103667.7981 3383.8202 95889.0560 111842.1427 39218.1751 1684.2535
9-Riburonosylhypoxanthine 584.4055 412.5655 733.7728 180.3676 777.3385 631.1503 360.0526 925.8590 1048.8551 358.3980 435.9533 499.9198 1056.0331 653.5204 783.9650 153.3995 834.9518 661.1968 527.0440 1187.9239 670.6066 836.1278 1014.6764 730.0475 1370.4438 875.4366 178.1092 426.0845 1103.4093 556.6511 751.4937 1281.4351 565.0283 723.8479 880.8309 977.5215 516.9666 368.2397 556.6737 576.7258 186.8616 180.9728 665.8236 1391.4153 944.0723 1353.1988 1082.8273 571.4590 171.4014 783.3477 987.4970
(9Z_12Z)-(8R)-Hydroxyoctadeca-9_12-dienoic acid 10032.4729 23854.8579 4305.2471 5258.2307 4822.5515 3615.6732 3428.7946 6880.4428 86.7667 9393.2695 4992.4899 8096.4523 3906.8209 3016.1042 91.0670 4336.3735 144.8387 1681.3168 2495.1457 2258.6090 6515.7819 871.5753 813.4440 6714.8761 6124.8752 5052.8031 1202.9309 201.1167 4293.5116 2031.1468 7088.2385 3941.2308 1460.7208 4740.9327 4905.8099 1799.2281 5462.9992 6373.6195 33632.1342 8947.9282 17019.1822 27269.9558 1771.6728 2408.3618 2792.2345 556.2788 3003.6489 3095.7534 3091.6326 1078.7744 198.3652
Abametapir 2537.3327 37044.5003 8966.1317 17695.2199 50821.0521 5777.0521 4293.6845 13685.2624 15094.0097 41926.5369 13616.8001 9263.4165 26207.4138 32766.5763 20238.1115 37414.0240 21870.7323 3860.8921 58804.6318 16883.0820 26433.9211 29747.7197 2531.4936 7133.7252 47728.4043 25657.7059 26230.9141 17381.6221 6905.6892 31061.8455 3693.1201 14389.0547 28329.8289 11052.2289 5990.7897 28664.4252 26889.9892 15302.4065 55768.4555 24181.4673 32164.9398 12647.0282 30927.4261 26665.0239 9892.4292 9253.1435 6693.0289 15271.2120 5626.7843 1668.3139 20965.0894
Acebutolol 3404.2777 4107.9379 3475.8828 3973.3228 3249.7598 3362.7226 3403.7391 3241.8883 3371.9158 7435.3408 4186.5477 1251.7357 2876.1687 4741.4264 2742.5208 3357.0989 2822.7007 3456.1419 819.6846 2956.9440 1195.7239 3263.5155 2855.0819 176.5559 344.5406 3818.3882 6249.1065 4161.5116 3586.4255 4986.3650 4368.4273 3091.9425 5118.1878 4154.4021 3197.9268 1927.9877 10382.6261 3586.6574 11311.3823 7300.7318 6673.9406 2151.7126 6340.1833 3455.1150 2992.7875 2605.2545 3619.9689 2850.5419 4059.8344 638.0755 3054.1608
Acetaldehyde butyl phenethyl acetal 312.4480 1113.0593 1331.1603 922.0227 1134.1436 1722.7097 1229.8317 969.4954 637.5282 935.4661 1412.0249 524.6003 1398.7748 954.6981 1872.0452 1186.5505 1010.3283 1336.4021 585.0734 1459.4512 329.0271 1536.4755 986.1471 1089.6520 1447.5239 951.2254 1139.5337 1042.2726 1019.4304 894.5309 1195.3784 1281.2591 1329.9056 1690.3298 1676.2503 383.0652 1091.6074 1851.6102 1641.8728 1476.2704 1355.4739 1656.3833 1508.9531 427.1482 2115.5003 1236.8646 1218.9320 1580.2607 1195.2418 928.9106 1382.8668
acetamidomethyl-[(2R_3R_4S_5R)-3_4-dihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]oxyphosphinate 384.4247 402.1198 358.9025 173.7322 338.9324 127.5705 194.0808 412.7102 370.5335 153.6960 214.4079 231.3409 365.7954 132.3425 321.3421 361.1388 508.6600 389.4678 247.0357 471.7531 140.1750 182.1651 399.2487 534.7545 557.9438 593.7844 325.2630 388.5175 432.7006 571.5087 401.6930 553.3573 675.9299 415.0149 571.9856 564.3605 553.5283 193.6083 397.9730 374.7163 143.3761 206.3818 495.9694 552.2436 195.6986 221.9104 595.1937 415.8080 298.6919 299.5289 168.7428
Acetaminophen 819.7093 3433.9022 1226.9421 866.3847 1306.2148 2016.1379 569.6088 1969.7196 2408.4205 3033.0831 2613.3314 262.6418 1530.6055 1077.8238 1544.2547 1883.8854 1078.8122 416.9354 1016.6230 224.7254 2587.6688 530.5371 403.9537 2995.5307 1945.4316 1286.5688 2064.1106 818.5413 1551.4774 5441.3273 723.5822 985.4818 7327.3254 4970.1619 433.5762 21170.1259 2027.1283 1543.7801 3467.3481 3441.1546 14024.9364 821.4256 4234.9442 1013.4786 873.0782 1308.4044 1394.7915 1659.3040 2165.3699 1317.7947 514.0871
Acetanilide 779.0800 435.2052 191.7755 323.0616 1377.4255 882.7754 1332.7037 900.9953 750.5577 920.6445 411.7635 216.9603 1070.7900 413.5287 1826.0333 1174.2397 243.9713 682.3428 593.2631 1323.9963 364.4358 462.3525 1235.2295 1178.0458 2050.3265 946.8458 1793.5239 954.6701 1832.1474 1074.4794 1046.0079 2143.7434 891.8938 2249.6132 1234.1305 998.5139 624.2944 1037.4357 1462.4331 1587.5806 867.1200 1449.3298 1109.4991 1799.7250 1898.6945 1001.0859 1312.0528 1749.9474 201.0991 1276.9031 1345.2184
Acetohexamide 4422.8761 849.9007 2133.3590 2834.6330 2373.1621 3132.2524 3985.0324 772.7078 237.1027 5558.8803 1805.1291 3508.3408 1748.4102 211.6430 5222.4830 646.8539 1060.2450 1964.4775 2458.4711 17403.9805 2020.5705 1383.5819 4502.4932 277.8323 2193.7966 1865.9648 3465.2808 1028.2499 4675.1437 2381.9487 2781.8175 3776.2202 2019.1034 2987.0674 2808.8059 2340.3040 2297.8779 1807.8518 1875.2768 883.5844 2640.9774 2043.6039 2387.7081 1358.8179 4174.2510 2476.8383 2925.7100 1894.4536 2243.7928 2667.6035 2807.2960
Acetone cyanohydrin 1259.9822 1008.2528 588.1909 1716.7697 1525.5263 1290.9379 192.3980 1487.9238 1538.3063 2141.0394 1235.4335 1246.3261 1473.5938 707.0836 1362.0881 1307.9039 1143.8772 1259.0147 1052.4540 1099.0648 299.0755 1353.5491 1261.5458 1231.1383 1490.3930 1630.9353 962.9878 1354.1528 1532.5763 1512.6533 1477.7777 1413.6925 1705.9931 1640.9944 831.2228 1639.1716 1482.4786 1371.6692 1541.0128 1329.2702 1672.9426 691.8044 2085.0929 1564.0624 1212.4116 1482.9762 1648.9442 1346.4631 1677.8938 1848.1968 1586.9884
Acetylcholine 4680.2239 5542.6144 6054.5181 7946.1586 1659.2779 3246.6184 3890.9738 29144.5319 1642.4887 8792.0860 15489.6844 874.0616 6975.9239 1033.0173 2938.8176 8766.6639 534.1137 843.2624 95263.4574 82.2386 14957.2112 692.9448 7881.1800 1249.4874 507.8798 15842.3074 19109.6140 3333.6099 5600.2912 12817.0558 1212.9058 8623.0700 4324.7593 2550.2442 2928.6758 4342.6358 33109.0602 45377.8763 28308.3830 32148.8214 10526.9883 2362.9974 48755.8510 1697.7799 8327.1551 5064.8245 3758.2420 1380.5174 24737.3605 5877.5553 2109.6969
Acetyldigitoxin 143.6313 3282.7387 3239.7040 4111.1910 623.4889 1854.3769 2926.7089 1291.7446 14235.1118 10470.7788 3916.5702 1354.7709 133.3393 271.1707 4490.9667 3040.8020 1589.0948 49305.0283 25331.8625 2146.4250 3758.6331 2796.3718 2234.9652 6072.6090 4454.6456 42076.6063 2945.2291 12890.8740 3035.6094 2343.7273 640.9727 813.8108 2924.1940 838.4407 3816.5819 15640.2840 6539.5278 2175.1109 166.2871 725.6006 165.2593 2483.4495 3293.4142 7383.3329 3409.3281 3269.5810 141.4643 2705.8180 9218.8631 4986.2773 1745.5165
Acetylleucine 206.5045 4362.1957 509.8788 580.6439 101.8157 542.0517 119.7923 5166.9893 798.8749 1193.4866 6117.2930 2075.6489 231.0389 7149.2329 4359.3721 1246.0586 746.5800 2211.6513 7193.3781 246.6716 2640.9162 947.6273 1182.8846 2115.9101 748.0903 1835.9235 4237.5470 1597.2444 1724.7067 732.1371 393.7990 768.4560 6538.6520 16796.4148 2636.1275 914.7134 5125.0843 2589.2005 4814.4080 2874.4187 3422.9715 4909.7750 3342.8689 3009.9006 226.0418 1440.7456 852.2494 1346.6277 10105.1562 2078.2455 804.8848
Acetylpodocarpic acid anhydride 137882.8510 415825.8382 134827.2135 95871.2352 136675.5839 83861.1068 113107.2669 118727.7150 93707.8068 277858.4749 70500.4693 29385.6721 133176.3090 179149.0272 4066.7871 111702.9563 91852.7866 2122.2268 134955.4500 127332.4711 1049597.4940 122326.9456 120181.7886 66192.0111 15162.4903 142297.9712 53214.6697 619.1269 117844.1414 191353.9654 217000.5226 97864.1534 275632.8309 131736.9067 38713.2639 72986.9865 64928.7131 196171.0556 896792.5213 229555.9238 169272.4365 118533.1030 220595.4286 12254.1690 84669.2153 129074.8033 151535.2166 90029.9393 397444.3124 70324.6495 16168.8166
Acrylonitrile 6620.8476 10364.3824 3027.5964 23948.2625 21633.1614 26460.0038 11627.6975 15524.3596 59920.9484 29998.7901 147316.6667 1848.8465 39666.9343 30093.9906 23560.8604 45487.6570 3792.2274 6953.2754 1742.4519 1728.4551 36025.6829 352038.4872 25248.3338 4818.2726 19886.6153 26586.4217 21962.8865 58366.4192 51016.9749 25925.8617 2533.2843 14482.1686 2712.2410 65034.1916 34040.3778 5702.0300 529365.3013 12608.0249 131946.4610 6107.1480 4833.3370 12302.8931 13517.1761 7455.9587 13102.6884 207843.8244 20724.8875 23498.2173 2396.8852 2218.1343 83500.0604
Adenine 15196.4566 18403.0556 59914.7232 47445.7910 26176.3234 11014.4159 16076.3145 26464.4936 41888.2374 29975.3756 33091.4499 21750.8024 17960.4224 26834.5755 22929.8720 43651.7236 27316.6812 28529.1609 19649.6675 24418.7583 12989.1980 41355.0890 98023.2864 36284.7342 57083.6076 23730.6429 40826.8473 80875.4814 94051.7821 15360.7784 18818.5134 23942.8234 101276.4379 185129.2480 33866.1502 28284.0416 7222.2191 19432.1676 20581.9085 36951.9708 14800.1388 9136.8523 44877.2423 42421.3056 29914.9439 63596.0799 24879.8678 18154.6755 43394.2673 52319.5451 31782.9593
Adenosine 126503.1518 116884.6012 480387.7239 165926.3409 165178.7679 64470.2318 90025.6741 231806.3024 303948.4431 203091.5927 83031.0466 139592.4869 42663.4049 32735.7734 154183.5415 341722.4033 217555.0712 212496.3521 139974.0872 162122.2417 88302.7646 305711.8873 771286.2739 323367.9577 426757.3759 180375.8008 285005.5334 101638.8606 221998.2300 33254.3075 115445.0972 146054.6153 213578.6090 252604.6018 233530.3511 196533.9135 37631.4598 117394.5734 45317.3703 259937.6574 96787.5826 41079.1126 305840.6610 317198.7991 214998.0258 184489.2172 115478.0270 110465.2773 114168.9594 426030.3364 223847.6468
Ajmaline 934.4875 8860.1014 3858.2201 10055.0251 1144.3529 2447.8713 2064.7732 8334.5040 42766.4475 12755.7275 17882.3536 234.8129 49.5272 1054.8481 7264.6543 2451.7678 1486.1685 50820.8485 25828.0076 1770.4736 298.9444 9922.5893 2246.7396 9453.7723 9906.6680 38428.6550 600.9701 14755.6971 2722.8931 4495.4399 1967.7300 330.0350 9250.2584 3965.2904 9173.9420 45904.0978 7007.9967 2684.5274 500.6483 1346.8578 466.9367 1951.8946 1356.6135 9861.9777 2770.7843 2461.1512 649.6830 50.5462 8819.4403 3089.4625 11862.2205
Ala-Ala 1214.6296 1667.1271 23445.4402 42561.2183 20475.4353 14001.7396 8924.7486 24618.1504 15189.4820 3922.4683 6248.3389 15387.9140 15506.0861 12272.2354 305.2128 23983.1664 796.9401 11064.5491 2996.8775 24513.5475 10821.3847 20964.8805 2712.1677 39777.9807 33989.1644 3980.6850 29240.1624 680.2119 26301.8981 6289.6725 23676.2043 4371.1683 24170.6980 170.7100 198.9009 1438.6333 13211.5895 38748.1245 67238.0153 6142.6038 1276.7377 613506.0125 3343.9026 9402.9840 15489.4909 113.7665 6259.3984 14504.4925 82.8465 22553.0018 2530.1151
Ala-Arg-Asp-Pro-Val 596.6357 269.6090 581.3452 261.7865 222.0767 391.6991 781.9107 309.0176 519.5398 475.4362 246.0977 766.5686 248.5570 503.9080 1001.6410 1041.0973 195.3685 547.7960 530.0204 785.6933 506.7623 1156.1864 1213.6837 606.7449 726.3458 569.0800 1073.5699 198.9450 395.5281 306.0956 758.4700 1728.7142 474.9453 932.8124 591.3479 508.2737 512.3966 462.5840 537.0379 202.9099 570.8029 766.4248 459.2377 205.7864 196.5865 662.3159 759.6777 863.4922 809.3121 1037.6242 767.7478
Ala-Gln-Phe-Ile-Met 656.7134 69.1577 3010.3985 7684.3292 786.1673 2501.1908 2101.4398 4671.3259 75257.2061 12166.4145 17898.0416 339.4363 556.3253 967.9461 3027.2463 3172.3589 1406.5361 91876.1256 27274.5014 3944.5372 1651.2887 5454.7137 2061.1269 8138.9700 9039.4003 92628.3165 1047.3028 11892.0663 1877.5202 5237.2591 976.8886 2983.2470 558.1912 1760.5625 5789.6632 88619.0489 8496.5067 1622.8642 838.2264 1916.9309 572.6801 1550.6663 1299.0715 6620.1812 2780.5876 2619.7894 162.6088 2126.3356 12070.4967 281.3273 16613.6072
Ala-His-Ile 6125.3003 12436.2397 3122.0107 4276.7401 3504.7564 4356.8336 3730.2862 986.0746 4613.3069 7663.1995 2578.9161 2114.3627 4691.5103 11584.1368 3436.0755 5055.0118 4638.2682 2315.2924 15462.6241 3900.9760 31979.5435 4997.3821 4260.6398 5102.6923 6742.8235 7518.7642 2492.4358 6604.7432 6057.1864 3429.8113 1193.1192 6672.5310 7649.7092 569.7558 4379.7504 10400.3748 9367.2350 5503.8727 19427.5520 15731.5026 37157.5916 14673.6808 13208.5922 8134.0086 3485.7298 4717.1283 7751.1564 4354.3437 22697.1836 11649.1403 2122.4566
Ala-Ile-Gln-Arg-Thr 5502.8811 10743.3998 1563.3859 7202.6899 7852.1015 10597.2191 10917.0341 17094.1442 6262.7229 792.8526 9101.4934 4394.8625 5340.7624 20406.1267 9767.0342 8295.6646 6824.7572 7993.8644 6303.6589 534.6712 20755.2489 21167.6346 7607.5423 13678.4206 11437.6564 12684.1668 3086.6837 2676.1518 7614.7421 17908.5422 104552.2766 1669.2243 8209.0858 10352.0443 7703.0546 6446.4126 1050.6143 16460.6815 8460.3305 12344.7895 1839.6729 6310.6439 15313.6196 9205.0307 10899.6560 10977.9516 17801.8616 1968.3295 22627.6787 10409.4856 13025.1283
Alangicine 5887.6674 5850.5617 8044.6385 5563.7927 5269.8489 6339.2891 9266.4679 26126.1020 32946.9432 6399.5235 21043.9722 4537.5959 5062.2685 87465.3847 7268.8413 17264.9671 5933.8904 60180.8416 15109.3867 6859.8670 8608.0878 4249.5206 5842.3536 6028.9147 5126.0763 170567.7839 18064.9853 40274.6043 8841.8688 216301.5133 178781.7108 128663.0801 13440.4044 13490.6871 24433.2228 106582.7286 24263.4253 7192.8805 6485.7221 171530.1927 13107.2947 4693.2593 7438.6336 9117.5478 12061.0946 4094.8050 6693.7278 6333.8542 23017.0496 33137.3163 14891.6454
Ala-Val-Asp-Asp 1913.2130 1571.6416 1609.3533 1858.2255 695.2343 429.9447 1202.6390 191.4124 1005.1834 3385.3672 1786.5628 1134.7712 1703.8623 363.1330 990.0560 2038.2733 1678.8594 1321.1314 1430.8963 666.7498 1386.7743 2038.1509 1211.9164 5155.5546 1945.4661 2242.1997 2181.8091 175.2846 10458.2941 189.9075 1965.9705 1606.6433 1476.4090 2112.3942 425.4658 2108.5486 1842.1720 1835.0826 1011.7486 1831.4656 199.3607 1796.0134 1593.2679 497.3197 1330.2177 2440.9386 3216.1863 1083.6909 1529.0655 1938.5171 170.6412
Allantoic Acid 14405.8579 1706.9147 4160.1600 125.8618 1855.5257 10659.6674 8318.5699 14564.4174 1886.2256 213.8074 3139.8532 14613.7638 1552.4864 11849.7940 11149.5355 665.2749 603.5621 1469.1508 3237.3111 2801.1661 358.5949 2516.4633 3416.1166 331.1373 878.5214 11589.3749 514.7344 6797.4443 16822.0693 817.7560 907.9917 9380.3605 6293.9649 3191.0652 1919.2899 4138.2776 8856.9836 757.9552 4025.3686 1613.8380 11133.3903 340.0889 2160.3770 1191.2331 1164.3303 237.0497 2925.5947 2819.7145 2339.4905 2599.2030 5692.8837
(all-E)-6^-Apo-y-caroten-6^-al 24827.5310 28535.6272 37508.1505 24649.9866 35619.4581 35517.7241 28980.2477 33757.6237 33137.7583 34910.6971 25576.7449 34344.5002 30007.1312 35931.9033 29550.9369 34512.7288 34731.3473 39565.7170 29689.7519 30885.4276 31290.4778 36084.1533 39514.9007 32271.9466 36139.7060 1361.8003 30189.5697 32960.5005 24868.3726 33932.0880 32380.9102 31593.6829 34912.1938 30169.3232 32785.0810 24156.8627 31918.6167 31013.2183 27014.1488 24063.8252 31870.5657 32694.5285 37193.8776 26135.5054 35099.0333 34366.3257 38653.8064 34754.5323 29784.5973 35853.4558 41162.7820
Allocryptopine 15416.7259 2757.3210 13176.1038 3089.8795 32291.4486 15960.7006 29391.9536 33783.9808 25752.6007 3180.0739 135.6315 6126.4614 18564.5578 10441.6523 968.1418 10668.6735 6948.1780 1029.2872 1650.0611 7748.9115 1415.2351 40142.9875 6698.3797 32491.7842 2183.5599 3524.1684 6527.6376 14909.2886 14467.8787 42442.2912 10625.8148 20708.3918 12696.3548 1136.0943 1576.7543 2181.7144 1764.4151 40034.4236 1456.6907 1545.6348 2642.9593 4084.5334 735.0805 688.4975 11457.4571 26725.7689 31986.1582 11867.4565 2165.4073 1651.8890 14358.9775
all-trans-Carophyll yellow 5353.0269 7770.1637 6989.0935 5045.4486 6498.5308 5901.7258 6653.8271 7295.3623 5883.3623 6780.7308 7122.1629 4808.9335 6708.4762 7520.6830 6626.6810 6795.0005 6966.5356 7668.4044 5734.4402 6987.6000 5918.4630 7014.9881 6410.0514 8615.8770 8909.1679 5082.0894 6560.1108 10540.8831 5932.6517 6228.2179 6650.5253 7094.9371 6873.6160 6936.8834 5780.0852 5124.6657 6731.8540 7495.3613 6542.1110 7177.3848 7333.9619 8653.9886 4802.2902 2602.5596 5602.1995 8194.4441 8254.6328 7363.9617 4735.8108 5456.8925 7430.1514
alpha-Asarone 15662.4694 9391.7668 14303.2359 12188.7892 986.7202 16913.3112 10507.5879 710.5521 2419.2707 755.7618 4306.4795 40275.4060 16211.0583 125.3896 31450.1611 1672.8128 20300.5508 12276.5121 1959.8534 60905.8303 1639.9220 525.2585 9706.1259 348.6104 10421.8000 9394.7100 896.8737 2369.5861 215.6421 1029.9681 16684.5348 1666.2709 6626.3709 14128.9609 36588.0529 1011.5443 119.3795 832.7959 2136.0431 1553.3486 119.0421 788.5028 1052.5349 10542.3878 9224.2339 35159.9112 471.2838 59096.9089 9116.1477 12039.7055 109975.9033
alpha-Eucaine 3713.2744 2671.7137 2227.0080 2877.7893 641.3450 3247.4078 2738.7818 198.6046 1882.4886 1916.2788 234.9197 3633.1618 335.2249 18178.3667 895.1507 3134.0626 1862.3890 4168.8787 16812.7395 2750.6405 1444.4071 2937.2247 617.6189 2522.7924 1879.7027 5066.2795 274.2119 5804.3183 3133.6289 3262.7515 3337.2747 613.6415 157.7121 2160.7500 11327.5337 1342.2988 4871.4119 3029.6208 754.3620 1550.7430 3239.5511 1399.0912 1013.9934 148.0730 1494.9037 3712.7696 4019.3589 269.1243 8078.9890 4008.0846 142.9652
alpha-hexylcinnamaldehyde 12291.5989 8029.6373 26842.9946 15016.1427 8579.5835 10601.9088 20184.5383 11335.4265 8768.6449 7387.0766 7544.7762 9936.8745 12324.6000 4277.2126 5412.3568 8206.0171 4382.5360 13062.1025 9516.6136 13478.4536 11574.8111 17775.1887 13218.6008 5727.1598 5930.4671 7880.6314 10768.6344 9097.3952 10841.7255 2186.2279 26176.8359 4256.6644 944.6370 11874.2236 9173.6079 11189.5827 5347.7858 8270.7294 16332.8451 6811.6225 9499.5424 3188.8315 13159.6839 10399.6706 13936.8251 5223.5137 9709.1603 9312.2011 8679.0703 9628.2592 10469.0773
alpha-Linolenoyl ethanolamide 18240.6054 96.4100 959.1639 5201.5396 1335.1692 853.8284 1620.9330 7179.8546 4848.9561 622.4501 973.4590 779.2132 753.7989 5932.8884 1816.7771 2922.4729 2089.2432 282.4988 179.1892 1032.6822 2082.4518 3792.7408 335.7245 10863.3723 6059.6825 12826.0742 349.2673 27645.3084 54452.3188 6050.9888 463.3732 534.6759 6264.3057 9143.3064 364.6518 4507.5000 2989.3999 1058.3113 540.3291 3417.6025 1691.7812 730.2117 2918.6680 4249.8375 2193.5331 26946.2107 12205.0088 2019.1268 454.0270 961.7173 467.2572
alpha-Methyl-m-tyrosine 123.3168 386.6182 2094.2929 2259.0098 1086.3270 1305.0460 1656.3288 2054.6649 112.6678 2748.0188 2702.0613 1930.9643 1940.1825 2475.9325 1388.5523 99.3911 241.4281 2022.9732 194.3752 1343.9737 1688.5675 2118.5028 1523.1839 3076.7309 3766.2777 1935.4629 5540.2364 2294.4866 1342.0168 2390.8178 1972.6268 440.2507 4406.7045 1813.4234 358.9137 1579.8820 5349.0541 565.3052 8920.1939 6665.8793 5440.6708 2052.7605 13179.8313 6163.2321 1660.8152 2156.0926 201.4755 138.9602 2416.8171 4134.7463 109.4020
Amicarbazone 2192.3320 3671.1171 1400.2574 2628.0552 693.2543 274.5192 2414.7921 295.7201 2086.8957 3655.9281 2368.4236 2360.6883 2197.7667 3634.6597 2248.3243 3054.3318 326.8783 2649.8888 4827.4199 2047.3574 310.3572 2277.6900 1964.3460 3288.3570 3178.4794 3157.2528 2728.2318 3827.3603 2313.9872 3449.2970 3162.0760 2793.9401 1806.8931 3203.2470 2462.5974 2948.4421 1687.2918 292.8544 3935.2269 4918.1194 3663.7806 18313.0270 9998.3419 3626.2611 2760.1118 3145.1469 2252.6593 2409.9694 2719.9617 2515.5901 2598.2373
Amprolio 8960.2385 3055.6296 649.5683 1345.4382 1403.6140 1975.5079 4801.3119 2183.4228 4757.7949 4196.0692 102.6425 10132.6712 9751.7400 214.0108 10141.3934 3138.0477 7643.4042 3442.4777 3541.9042 980.3276 5604.2267 1119.6627 2615.7589 7954.8431 438.0257 4433.9055 1309.8419 3975.5016 730.7698 103.9048 142.4696 2762.1829 3585.1676 5316.6119 312.5884 597.1779 2339.3108 897.9557 101.6811 4760.0715 5538.8808 1041.1468 985.1469 1194.8100 8622.8769 25353.7974 754.4769 26141.3640 2113.6593 3628.1367 609.7204
Anabasamine 15113.1320 1270.5367 345120.2423 249.5353 214511.7411 929.2162 1464.5479 250019.1568 248763.2737 302979.0310 155669.1858 330452.2826 398350.0634 483154.0707 356977.2325 554526.8811 264340.7058 136737.9701 1324.1939 342036.1671 210255.9245 462166.9799 1623820.7880 364339.1690 443.6698 2010.0190 2289.2079 359555.1553 451.7580 532286.5721 2976589.1220 493.7416 220238.8205 222154.6938 118436.8480 2411.4556 269863.9594 948.0283 2593.2854 189279.8350 387246.1450 315095.6122 293706.6876 984.2190 430232.7403 166059.3676 198.9606 459.4295 1690.1959 3848.4545 2277.4171
Anacardic acid 1333.1896 958.5140 159.8648 315.6929 358.8208 863.3919 1003.5683 1116.9656 3588.4030 350.6165 129.2244 701.5997 996.7715 2184.2325 1022.2755 3066.3724 157.1700 337.3919 1305.1936 1083.6647 207.8528 1177.3801 1019.3662 6526.3339 1356.5950 1041.2120 327.6368 1708.5557 1587.3380 1089.1129 164.3012 1436.2125 1925.0109 789.8900 2233.5618 1446.7608 629.8187 1439.8683 1275.4422 1108.3615 294.3973 4267.7007 254.9685 1362.6008 866.4100 1514.5733 1070.6448 161.2265 163.3848 1463.8777 1094.6547
Anastrozole 2719.9863 3843.3491 992.8144 822.6827 1382.4214 136.9660 933.8145 1475.4300 1277.2604 2316.3958 479.7463 970.4515 1082.2422 1337.7088 116.1833 115.6109 914.3308 131.7973 1566.9492 676.8137 2730.7439 435.6987 790.1026 152.7256 266.2546 102.4363 1096.6011 1280.0254 233.0444 1172.0115 1362.6302 1775.2018 1612.9396 262.6442 136.0424 2163.6009 2732.3436 1049.4305 4127.9554 1972.0479 3905.3698 4297.8996 1250.5693 1149.1418 884.9386 964.6396 1331.7371 764.5170 1333.6126 1338.0950 691.9355
Androstadienone 2220.5957 1918.4241 2547.2328 660.3444 5867.6995 314.3162 2893.2082 3777.4571 3403.7689 1843.3472 1007.6363 2610.5170 2418.5969 2116.1969 3026.4212 2492.2899 1190.9166 2867.8315 1578.8309 9582.6251 2633.6059 2452.2212 3123.3170 2871.0560 2133.3625 4116.6874 4130.7683 2284.6765 1622.4813 2516.2220 2615.0537 1146.4400 745.1624 296.2454 1603.6096 2641.2022 1325.0813 3743.6239 2025.0823 1398.3477 2261.7924 1405.8183 2466.8688 2745.8846 1372.8091 2653.1679 369.6906 3137.9985 3303.0171 3877.6721 2388.1154
Androstane-3_17-diol dipropionate 27245.3973 4705.1353 20111.3998 18064.6603 16339.2565 24776.6459 20403.4963 27021.1308 4280.3326 7911.3391 9145.4905 20619.4395 13576.3495 7223.0120 13024.0164 18047.6719 17571.7878 11236.1119 15820.7422 13092.5087 6239.6110 52802.8286 21809.7329 2162.7530 3774.5006 18938.9889 11435.0778 8572.8864 31208.3693 21444.9308 18399.7363 23688.1706 136241.3186 24917.1691 19587.2757 1502.8003 32864.4025 8556.0669 16064.7558 1728.2823 40718.1323 11440.3306 20918.5819 11540.4584 15810.0505 22026.1322 25561.6736 15291.5111 1768.3495 1014.9988 17539.1491
Androstane-3_6_17-triol 1577.5518 478.3364 312.3140 29185.9776 3275.5958 3725.7917 3621.4082 4367.4880 5467.5106 18898.8438 556.2856 1727.2672 1939.4360 12131.0922 287.4949 1580.3684 271.2354 1657.2957 2360.8312 4220.0601 9256.4498 30127.8232 3573.4963 5341.9115 5971.9038 1889.9850 6674.1299 4926.1545 5644.3474 5332.3691 151.6324 3972.8765 4925.5127 4929.6639 3734.7045 4971.4216 7255.4407 5691.4003 786.8910 133.7319 2651.6829 1800.2106 173.6847 4697.9000 3191.9872 5230.5142 7141.4819 1009.2381 6909.3291 2891.5042 3255.3842
Androstenedione 8783.3747 533.2038 967.2637 465.7479 8397.1813 1820.6458 1692.1434 9671.4324 6354.5905 9936.6575 5452.0492 9603.3970 6544.8070 12350.6715 8153.7908 7780.8366 3892.1212 999.6088 1864.9159 5553.7991 37425.5024 7246.6683 5891.1931 513.3453 341.1208 9250.2125 143.6562 410.6191 9015.3566 44631.1963 9760.7178 3342.8298 21640.7431 9704.6624 8466.1441 16138.3135 5683.8369 3970.5707 3862.3442 11605.9376 20266.7291 38514.2349 16659.3946 9444.4822 6118.5894 8077.1752 7977.9376 5158.2288 12268.9700 6098.1152 5996.6696
Antanapeptin A 1125.4515 56.8113 6739.2779 7304.1306 1499.5986 58.2946 1583.1921 4376.9945 63779.4036 26728.2712 14680.2893 535.2788 897.4356 1749.7241 3391.2573 1511.4008 2745.2597 127590.8362 57979.8590 2352.3767 1346.5164 8227.6028 276.4322 8812.3164 6814.1330 134401.5179 525.1397 25105.5337 1602.5223 6162.2678 1590.6832 3234.9929 253.4629 1987.5099 10213.2401 69274.4418 11624.2023 1438.9009 798.8624 2429.1590 619.7663 1215.8202 1096.9628 14916.1687 3188.6107 2181.0700 487.6645 2362.1067 21835.6991 77.5886 10194.8340
Anthranoyllycoctonine 1356.6670 15987.3357 5989.4172 16307.0337 1784.6618 4704.3572 3213.9021 9430.7561 159761.3979 26584.2265 40526.2809 614.0520 1039.7442 1937.6792 8538.5363 5356.0122 2458.8038 165022.1188 56039.4304 3445.2745 3105.1607 15048.9581 370.8413 21544.4012 18324.3039 189794.7078 2119.9710 23272.0061 3600.0827 9984.1259 1934.2394 5497.5793 1109.6958 3297.9005 11815.2779 173319.8204 15711.5837 3028.5895 1333.7540 3322.7968 1300.6295 2552.2761 2341.1302 13169.0590 5757.4854 7210.7561 2374.4003 70.9282 25585.8039 490.2291 37420.4583
Arachidene trifluoromethane 214.9847 88.7620 432.3059 409.6107 376.3267 356.3373 79.1561 934.0288 2824.8755 1346.0691 826.9781 74.8171 838.1296 803.0851 263.9655 78.9148 166.4786 2975.5537 1448.6359 181.1175 358.3057 561.2106 179.3603 75.6880 92.3878 6962.2538 448.8412 1949.9406 295.2418 522.6789 1095.4160 2026.1418 643.7269 1125.1690 1172.5116 3659.9052 521.1081 541.7321 493.7841 1006.8281 579.7861 387.4065 266.3297 1040.9537 75.6595 575.0873 359.5490 187.0429 1430.5365 332.1409 1196.1913
Arachidonoyl Ethanolamide-d4 2720.8248 2893.4215 3143.0260 1772.7739 1071.5634 5554.9000 4786.2669 1807.7222 2460.1177 4435.8545 6087.1138 1062.6858 2898.6351 6960.9697 3442.2018 4488.1634 2030.9414 7523.1825 3517.3037 5930.0724 19546.0762 2317.5386 1767.4133 2078.5691 3690.5285 1710.5408 4395.7919 1163.4699 880.8676 1712.5296 15389.4947 2376.1966 12419.5090 2811.5540 2502.2501 2988.4079 793.7843 8315.3866 3728.9290 6322.6742 3657.2676 4121.6152 3468.3973 1917.7880 2962.8587 13509.7221 5713.2192 2134.9741 1188.3332 2254.3621 10716.9112
Arachidonoylglycine 2731.4805 20808.7938 37933.1359 122744.7719 11415.4838 66655.6823 106286.2467 68733.6623 27704.2952 186993.2486 12140.3397 54360.6787 161.7394 285899.3514 17777.9083 24566.6365 8422.7004 67283.1334 16410.8332 20019.6999 4090.6225 65111.3396 23221.5966 58504.9564 54884.3518 580.8878 21659.7559 77839.4675 53617.6279 338862.9598 3492.0638 25156.8304 66641.0802 1165.5150 30830.7499 82021.1370 37283.0033 128053.7439 85714.7388 78267.0424 87484.0428 40707.8775 23418.6525 48447.8799 17028.7227 25179.1956 93512.3474 36720.6879 35475.6871 24333.5209 24271.4827
Arachidonoyl PAF C-16 7267.9847 10136.5833 6461.7283 3769.5113 3474.0136 3138.9766 1119.9118 9358.8791 4216.8450 8279.6984 8106.9932 345.2848 8658.9929 16465.9779 160.4955 1342.6462 4804.8808 4757.5183 11281.5010 2101.8152 9921.2195 10501.9447 2585.3639 9230.3955 7557.7780 6078.7017 7130.1512 14774.4752 4376.3624 5543.4326 4799.6778 3579.9450 9691.4125 2342.9307 1857.8432 4401.6110 13670.9976 6879.4648 8902.4021 9399.0199 10852.2477 15560.9222 3134.4909 3199.2182 263.2872 4643.1948 10855.6231 2518.0040 3310.9676 4024.2870 5482.7173
Arecoline 7238.2043 24554.7013 6982.8676 5575.3050 7793.4015 6781.8391 6221.2030 11497.1703 6742.8836 302.5569 801.5973 7173.2792 31061.2735 1359.3444 6893.6845 6917.4989 15018.5292 291.3100 1076.6078 9547.4638 1598.6509 7592.9395 7938.1500 6450.9694 4643.6590 5995.4243 2502.6258 6807.5203 5711.3493 317.0167 5066.4133 5782.8611 2280.9108 7093.3942 13354.1064 3722.6942 4859.1226 5072.3674 4364.0476 1606.2083 5145.3881 4161.2265 1902.0803 6193.0016 3173.5716 6526.9594 303.6554 7708.3934 1686.4688 555.7426 6249.7936
Arg-Asp-Leu-Tyr-Ser 905.2843 11011.5297 5616.4037 13638.9649 1500.6047 2326.4079 3864.5601 6598.6054 112606.5270 20744.7202 24469.6267 579.4230 917.4724 1656.9875 9614.3128 2920.6340 2449.7390 155858.7635 49247.3418 10283.2355 2477.3738 11540.2245 7858.7257 16870.9195 10866.0646 150435.5428 1441.7249 21711.8262 2471.1269 8809.8911 1721.3515 4472.8438 587.5169 3110.4534 9909.9210 120551.2797 15154.5982 2178.3096 1197.0089 3031.8566 915.3886 2151.1421 1511.0511 13187.5656 3845.9956 7418.1709 198.9578 9623.2223 21641.7457 120.0732 21177.6267
Arg-Gln-Arg 506.6627 434.9808 577.6844 458.5803 441.7582 808.8477 576.0518 1992.8919 2461.1778 460.2443 1506.2996 1265.5668 345.7602 4983.7280 613.5558 1325.5946 271.0507 3160.4832 1028.9736 708.1400 643.9963 967.1469 506.2212 568.9748 119.8887 9006.8760 1275.1077 2696.4186 714.5130 8209.5967 9781.8241 7543.3576 898.2613 1015.4145 1763.2566 5711.7047 1156.7604 582.6308 254.9224 8246.1712 972.7202 1275.4419 157.1524 601.1328 927.3679 1474.6586 13193.4873 543.2436 1633.3326 2104.3261 1256.8464
Arg-Glu-Ala-Phe-Arg 153.9714 5398.9834 2163.5131 5967.6829 594.5155 2118.3066 2237.1683 4854.0907 26806.6757 7088.0639 10636.1272 3015.3389 3227.3346 490.4116 4195.9441 2311.9888 692.0839 35567.4803 15175.0439 3041.4714 2075.5409 5760.5425 2526.7550 6681.2464 5224.7366 21790.6305 100.1089 8906.0386 1196.5679 2414.8484 844.1940 4602.0258 491.9677 2638.6251 5698.8869 32683.6211 3944.3275 1019.7317 65.9686 522.4884 2724.4540 784.6274 541.4139 6185.4667 1848.3683 2539.6149 76.4903 2634.3786 11930.9448 2376.7814 7335.9932
Arg-Glu-Arg-Val-Tyr 270.6871 5744.6741 3173.7446 6841.9929 616.2111 2517.1276 2902.4964 4022.8336 23792.2995 9894.4717 8146.1148 2410.8788 3807.9127 202.8469 5870.8689 2369.0277 996.9243 38279.1394 18364.1596 3038.0446 542.8469 6110.9214 3499.5075 7341.9589 6867.7750 25632.0301 1965.2333 12031.7796 1438.3939 4433.7212 530.7553 4483.0890 6002.1622 3125.2494 7085.8280 26612.1011 4964.7664 993.4080 1780.0602 631.3213 2794.1534 647.6447 1695.1186 8604.2985 3698.7994 2696.3707 1854.4949 2929.8696 7060.6925 4387.2743 5827.9726
Arginine 35391.3388 24018.1362 10393.3748 27670.8496 23184.7266 12595.7614 15526.6775 21755.7841 23119.7700 22305.1665 13460.5189 6305.4462 15796.3661 16802.3810 21955.7233 50929.7648 22810.9427 26081.0494 26458.8327 30236.9375 31798.8371 14821.5528 7746.8599 30959.1050 27653.7024 38061.6832 26716.3366 26101.0325 21875.1358 14785.2795 111947.4111 19833.1719 29061.8402 24903.9990 89217.5806 23033.5157 25929.1974 29633.8182 28274.3868 30672.7552 32145.2458 37914.4259 31974.7321 22130.0747 20045.3279 31878.4489 29477.7102 21533.6335 27546.7104 32780.2447 11349.3202
Arginyl-Alanine 1422.6443 567.1222 1561.3406 749.9727 337.6296 1298.0698 9135.0618 285.7522 1089.5293 876.8549 1450.0572 212.1192 287.6007 2198.4995 1083.5420 1449.7918 1257.5973 1191.2199 977.4997 1019.2054 373.5376 1695.7812 869.8623 2081.8589 1600.3975 3703.4964 2015.6733 2070.0572 2221.9224 2513.5456 2303.3500 1482.2509 1973.8698 2149.3154 910.4560 3105.0514 7803.9171 1167.3531 2529.2392 507.3940 10868.6648 436.0996 1888.9485 874.9244 1169.7435 826.7465 1318.6009 1840.2353 1643.2282 2168.0179 212.2881
Arg-Leu-Leu-Asn-Asn 2785.8538 1830.0297 2398.2185 5654.4255 2377.5425 1904.2131 215.2047 1931.2678 2442.5308 1399.9944 2838.9702 2316.9532 2531.2196 1002.3242 867.9480 3010.0129 2293.9334 225.2555 2728.3604 2310.7989 4046.3993 2410.1981 2086.0491 2561.5687 7433.3438 3378.7560 1845.3791 5321.6392 2844.4076 6378.1787 2528.0067 2912.2001 2167.7176 2973.3400 2477.9813 1700.1904 3407.1281 186.3345 3365.6612 1102.2274 7469.0944 1069.8659 2754.0147 4475.1304 1776.7902 2760.7448 1816.9659 1979.2487 2899.1679 2317.7345 1763.2710
Arg-Lys-Asp-Lys-Glu 1635.0335 70.4977 8787.2865 16069.1069 2210.6802 105.5069 5664.1202 7838.5842 130750.0613 38881.1748 30124.8066 685.9564 1365.1884 2496.0976 10015.1765 5410.6138 3718.3300 186736.9090 81002.2411 4046.2539 2489.6197 14215.0595 402.7319 17289.3929 16991.6857 219549.0515 1201.6328 35501.7904 3298.2806 10478.6930 2428.4964 6121.0451 584.3256 3448.9661 15379.7991 138485.5559 20121.6245 2480.3780 1358.2020 3739.5515 1251.0483 2100.3414 1939.4547 21615.1349 7436.1244 6637.1840 680.3274 74.3249 31999.6610 463.6880 22049.7647
Arg-Lys-Gly-Ile-Asn 540.1271 7057.3799 1709.9975 8300.6332 646.6286 2220.6658 1843.0233 7887.9695 43062.4633 7366.2600 19240.9845 2448.4479 490.3915 151.5739 5776.9046 2912.6992 705.8638 40300.5377 14039.0814 1349.4336 2688.5357 7459.4362 54.8755 8705.2100 7385.9935 31433.6077 1237.6479 6081.8208 1604.3845 1831.5813 1292.8467 421.0045 7024.7804 3347.5655 5007.0708 40267.1200 5086.9621 2964.3008 1984.6938 419.6796 2446.4436 1809.5100 1896.1157 5260.0244 1885.3916 2247.9035 2202.8218 2234.9992 7544.0379 3184.1932 14447.7171
Arg-Lys-His-Arg 2310637.2590 6258013.5250 803572.3726 3574309.0940 55478.0549 1493353.3280 1260074.5560 91079.6025 1868795.2700 6833814.9310 5506848.1670 3765080.3290 5722.4280 3961994.3060 3017605.9560 9878.9948 4152968.3810 4309681.3030 7538022.0700 1423275.3300 5686360.0470 12126.2765 1012.7314 565798.8726 5918614.0940 808353.8917 3624715.2740 9683.4816 1584373.2100 1438027.0210 27733.9691 1664588.6780 3111664.6700 3340827.9340 3859944.9210 7234408.0630 7241514.5230 23242.2212 8251532.6050 6616098.1880 9016005.7520 4331093.6150 5621781.2000 5586710.4860 367271.2836 1397108.3930 1925577.8120 1161828.8370 7968831.8370 6050427.5440 2094054.0810
Arg-Lys-Leu 3602.4684 4918.0436 7377.1358 6918.9744 7276.2869 115.8800 849.9746 6669.6906 6567.9696 6104.4327 4069.7234 1733.1317 5570.3236 1766.8903 1752.2741 3865.0237 8313.9398 7949.2448 2361.4870 6203.7031 4680.0751 5391.2001 4300.4057 5239.5151 6491.5538 6221.5592 7292.6916 4053.7299 6349.7266 6829.5278 7624.3705 8875.1981 5661.9015 6332.9847 5213.6536 6613.4657 4063.0096 7101.6117 4956.8328 5155.9437 4686.0770 4072.3700 7585.0671 2697.7408 1334.2567 8417.7236 3835.1402 6752.1642 6001.2316 1439.7807 9651.5107
Arg-Met-Met 144571.6709 165373.6694 72857.1004 420566.3791 160477.4576 174657.5817 190444.4697 186692.5481 155334.6616 277963.8996 158129.6598 216883.9534 120679.1777 83591.8433 204980.3789 169042.5549 192048.8517 200654.2065 223725.9717 202135.4080 141753.4774 196126.8621 238681.1557 121998.8591 207084.9828 80892.5618 174357.8107 67751.7196 192206.7040 211852.0115 253360.1349 307769.2323 138764.3372 175780.0286 83226.1724 192973.3123 114704.3130 143218.6904 113677.5258 162616.4884 94355.8962 143070.3959 193169.6227 237624.8112 261126.2002 71647.1455 62208.7843 166403.5668 349117.3519 168539.3453 176006.9645
Arg-Phe-Phe 3685.7820 1165.1108 7998.8425 24695.7166 18756.0200 24669.9039 3956.7587 12198.0375 12236.8686 2266.9241 18218.2526 961.0789 10229.0494 162186.1766 540.8603 11512.2077 2369.3809 13002.5743 18854.8575 4977.5781 4861.0289 18491.3218 4246.7895 65253.9598 7978.4367 35303.7603 5656.4672 27076.7555 28269.3805 15959.2987 20702.1901 20165.8901 249053.4130 1172.7774 2907.4442 533.9963 2441.7785 31332.0973 5082.8481 2037.2904 34605.9974 207.1683 231.4264 18408.5746 3808.8344 46200.7216 29667.0707 51378.4595 1303.2120 4751.7090 4249.3477
Arg-Phe-Val-Asp 4409.2746 9432.3658 3270.6179 12692.4085 2412.8985 1417.6224 1457.2466 637.3523 504.9174 1773.3217 1964.6047 397.2175 1955.4637 387.3884 2736.2260 3459.7356 408.7267 755.0554 486.9094 2650.3985 12561.1401 5070.7397 2400.7981 147.5470 3446.1720 644.4602 711.9046 4960.3272 6918.1306 4535.8060 6449.1674 104.8528 534.6016 314.8338 1416.7131 13237.7895 8603.8679 33802.6931 5790.1978 1861.5603 3511.7881 3432.1183 1085.7502 3563.4318 3418.6178 437.1695 18879.3429 335.1350 38031.0038 420.0759 1087.0603
Arg-Thr-Ala-Arg 7620.2935 7470.4888 10845.8535 6247.5019 6518.8074 8124.6892 11281.3853 49677.7447 106520.1277 15000.3128 49793.8316 5380.7793 6724.0197 169112.8121 9368.7112 25825.2216 8349.1764 148813.6534 31152.3755 8295.2696 16079.0462 4949.5434 7599.7569 7250.2130 5149.1126 372313.5245 28892.5907 85280.1082 13179.5015 302692.6529 240750.7376 241677.1082 18831.3291 22818.5141 39974.8126 253418.5938 40961.5059 10806.5068 7226.3172 263232.9662 18085.9703 6574.5620 10808.9773 14723.3286 12936.7209 7007.8071 9248.4988 8348.3180 50853.8992 55727.4130 35766.1158
Arg-Thr-Arg 20142.6432 36697.1270 17149.4372 8304.3217 6174.0613 660.1595 26127.3145 33615.9351 9452.4869 29809.1703 29296.2259 439.5198 29052.0331 38435.6098 407.6470 1414.8243 8783.2974 10117.5146 33022.5459 2688.7844 29362.5914 37470.3750 1194.5747 31622.6818 28121.5609 17882.3648 22956.3716 43362.4939 11163.1150 14196.9872 11872.4408 5587.8752 34299.2033 3141.4281 2438.8345 10878.2498 39347.2942 20979.5611 29451.0658 32114.8842 33595.7760 45439.6426 5744.3853 19915.1835 165.2962 9971.7357 34435.8052 3470.5604 6312.7396 222.6599 12423.0213
Arg-Thr-Leu-Ser-Asp 9078.8540 431.0620 17390.0611 516.7945 10852.9153 70766.5068 11215.4465 49596.3528 569714.4463 563.3557 941.0183 388.1901 45712.0970 195933.5508 31689.1747 63295.3689 515.1558 47057.5632 8953.3776 2126.0869 1533.3938 39949.7357 4051.0559 58028.9916 107637.0825 138978.0544 82.2793 75307.1529 589108.6458 11815.1065 98554.5796 23415.8770 22635.8015 123074.6781 1188.1639 1695.8710 351.3728 95680.2211 1711.5388 318.1233 1243.6046 489.9281 65174.0931 57424.9989 1239.4896 321697.2962 386485.7777 289544.1087 823.9963 90.4896 3026.4304
Arg-Thr-Lys-Arg 3938.5728 3316.5395 4100.8875 146.5717 7150.8445 9148.5476 7360.1331 5612.9834 3474.2830 1463.7946 5047.4541 4801.4714 8979.6021 9842.8768 9042.5788 12005.5266 7325.9774 6530.9174 2872.6504 11634.4650 2032.4157 6023.7965 7532.2593 13773.9791 6968.2952 5825.0734 3615.8410 8915.8187 6100.4246 166.5283 10884.9597 9635.8384 6490.2143 10892.5931 6145.5075 3768.5231 3810.2245 4856.6476 4410.5305 5508.2386 5916.6317 1595.6801 7921.0464 6042.7423 6995.5810 12186.8189 9516.1223 7713.4570 6059.8695 10148.6170 9619.7738
Arg-Trp-Ile 2169.7710 4591.2833 2078.8554 5697.5567 4698.7908 6475.1508 6220.2379 5027.6955 4273.3210 4862.7752 3982.7221 7099.1801 2455.2305 2455.6283 6586.9593 5548.8819 6473.0796 4896.8716 4091.1703 6384.0575 3744.4257 4798.7395 7317.7049 3950.8705 3833.1049 2297.7852 5059.3323 2037.5198 4126.3804 4278.2828 4997.9194 8326.3430 3472.7708 5171.1936 2506.1395 3782.6306 3319.6604 4486.9932 2933.8819 3381.1418 2018.9803 3739.8374 5360.3120 3617.0598 7225.7775 2739.9740 1725.4645 5426.7947 4307.3919 4964.5113 6328.9575
Arg-Tyr-Gln-Lys 3473.2877 9773.1081 112830.5448 4366.6537 75772.1377 8925.0328 8495.5258 90789.4219 21504.5152 19904.3635 13958.6879 28832.3466 11195.9814 11157.5112 4768.6027 7326.5309 43688.2827 7459.7776 16861.8549 2308.5202 11421.6722 16261.4715 4833.4299 288860.8697 52859.3877 229588.6467 32175.8525 20975.9249 9082.7650 262371.3585 22493.7139 6012.1909 451413.8745 30957.3304 32374.5796 20244.6587 8736.7486 52897.5106 30691.0291 11654.5191 34965.2958 12167.6304 8256.3116 15810.4796 183044.5421 9269.9273 14673.6733 9389.5805 22077.9971 19625.5028 201277.5804
Armillarin 11180.4620 21986.2455 9115.0563 29417.1440 24372.0200 20614.7511 29336.6131 32251.8245 15346.6542 10809.0311 15728.1149 42451.7113 7718.4363 11405.3600 48391.6517 45533.9838 65184.3461 34710.9786 18738.6318 33109.7197 11708.7044 33709.4850 41585.9738 16621.6684 34167.3644 5440.3893 20253.9122 8706.7966 22568.1234 20466.9663 21209.0530 36614.9759 15747.1649 15330.6218 19031.7061 15047.9014 10415.7528 23199.0334 12788.4215 20972.0428 4795.3944 17955.1845 27959.3144 10763.0291 33948.6711 16234.4521 9904.3870 23189.5391 19124.9242 23650.1205 41623.0496
Arotinoid acid 1748.5539 15162.4253 8858.1436 16526.4592 1855.3366 4077.8039 4188.9718 11133.3225 60369.8453 28151.1001 21849.6374 801.7190 9800.3129 2744.6829 12459.4708 5301.7065 3221.6414 86044.4492 48968.7368 6532.8255 3564.7532 15962.3578 6422.2036 17317.0345 17568.8370 68472.6796 854.3917 33511.8391 5040.9504 11594.1434 3119.3403 12379.5008 14266.9357 7778.8267 17444.8434 60634.4860 11910.8895 3504.8762 876.3849 1886.8097 186.5103 2885.5897 1675.7452 21793.4035 7890.6321 6640.9924 1351.9617 6380.5054 14923.5911 11694.7883 14943.5842
Artocommunol CB 19355.0752 12149.0203 8534.0106 24787.4536 16418.3641 17495.7500 15118.5587 16809.6718 14970.7985 16834.9425 15416.5761 14032.2437 15910.3748 11282.3463 18616.3452 19618.5927 15959.0470 16472.9645 26415.3798 21561.3163 15903.1115 18926.0598 19094.7383 10467.8195 19664.3092 17644.2326 16605.4458 14334.8943 20845.8271 12857.6649 16782.5972 37119.5489 15514.8806 21274.8244 16116.9249 15907.6823 9407.8368 14220.5529 14362.2304 14424.8318 20916.1354 23985.2507 20787.1560 15415.7312 19044.3394 21835.7960 13743.7299 15791.6536 21838.4431 28063.8422 18732.0335
Asn-Asn-Phe-Ser-Lys 2057.0886 2715.9213 1876.9652 2666.7199 1221.3591 820.0623 847.6874 310.7078 284.8173 879.5172 1135.2704 1596.7273 1361.5772 129.6321 1433.3018 1994.4629 1667.1078 349.5308 2046.6522 1286.0359 3187.6712 2200.1742 1231.7979 2749.2065 2088.1249 407.2424 503.6918 2276.9600 4402.6305 1860.6250 2461.6293 1842.0954 357.2654 163.3318 501.0187 4966.2281 4472.7057 7556.1867 2768.8275 951.3559 2058.0329 1896.6049 833.9819 1732.0999 2696.2314 387.0084 7703.0765 68.1347 7072.7828 2032.5918 774.8514
Asn-Gln-Lys 2133.9892 263.2107 4179.4168 1584.3249 242.6175 533.1425 2168.8107 1024.2899 1704.3631 273.7660 2528.8010 2434.4582 2008.6020 3633.7717 1610.9572 2083.2210 1578.7067 2016.5484 1221.1324 253.5962 2676.1747 2368.8290 2010.9070 1351.9282 2814.0452 2304.8668 4070.2014 3523.8076 216.1974 10021.0418 3030.8573 559.6256 5806.7759 4815.2366 2124.6724 913.3452 2023.3827 5023.6795 3261.5329 607.8683 705.2600 6388.5475 2601.3797 452.8755 2250.8363 1604.5096 9832.3408 1230.2879 1894.7173 1933.4709 2532.8881
Asp-Ile-Lys 28724.2362 26432.9420 66322.2480 36121.1792 25699.7857 66407.1414 21221.3101 50516.2180 3926.2171 25568.1347 21285.8070 2141.7067 23322.8349 2946.6707 22515.8883 24726.1282 9669.4334 456.6646 26545.3622 19405.9649 30806.7679 24597.7925 20386.4878 30789.9645 27160.5359 3039.7398 35422.3587 17645.2783 27933.8432 35458.9269 26707.9327 28264.7267 105769.5206 463.2680 17734.1282 25704.4936 28353.7272 36448.1228 33789.5275 31060.1889 31616.0327 32939.3109 26903.9579 26315.0121 24012.7391 24544.3374 25300.5164 21668.1238 29021.2278 20415.2326 1985.9379
Asp-Phe-Gln-Arg 904.9409 12094.9075 3819.1097 12450.1647 1216.9491 3634.4621 2925.3929 7637.9643 129462.9175 15065.3435 32021.6819 466.6999 942.1336 1309.8371 7190.6483 9855.1087 1743.3827 124345.1343 33963.2509 4057.4635 3109.8734 12690.1366 4154.7633 13747.4675 10763.7983 123571.6821 2072.5752 14931.2707 2678.1230 7338.4725 1362.1941 4762.4664 901.6054 2647.0872 8108.9772 150363.5944 11670.9547 2786.9191 1048.8219 2634.8005 1191.6486 2488.2223 1838.6733 8463.3756 7453.0518 6166.8952 8733.6719 4595.5405 17482.4979 103.9697 30872.0049
Asp-Thr-Lys 2880.2200 12859.8953 8498.2837 13995.4336 16848.9882 17152.5876 22871.0702 21762.5753 9113.4851 6892.2278 15157.2935 14456.0180 4265.6924 16854.6630 12041.7017 13094.7993 17046.4826 3043.5511 13456.2888 6204.8450 13171.1607 83252.1585 873.9891 6485.0229 396.7973 20747.5706 9415.7276 3214.1613 7689.8197 48343.1935 101618.5545 4671.3151 9454.3351 16501.6767 29886.3765 7276.3345 6447.9230 30737.3114 1402.0974 1996.7083 14374.5606 7515.8292 15689.5217 11062.9967 11162.7348 10610.4394 62478.0356 5889.6053 44303.1060 1792.5796 46477.9174
Asp-Val-Val 3581.2010 117.1530 2024.0762 454.8396 7155.4569 5107.4778 4977.9336 7981.4589 11034.7836 1766.0009 81.1086 1673.8821 4739.7746 9832.4989 3172.1181 2548.4216 595.8225 3560.0619 317.7156 1990.5524 4056.2701 11510.3258 768.0010 17938.6996 1662.9791 4836.6804 3063.8627 8662.4432 11020.1620 16696.2085 3082.5696 5055.6917 4825.4233 1401.3136 95.2161 1171.5174 4521.4465 17041.7624 314.8683 601.8878 192.4690 1006.2483 540.3981 2664.3231 1544.4921 20022.4508 9321.1630 3133.3549 984.6671 2164.3808 2793.7712
Auramine 185.9927 54.6352 1883.3680 187.8849 64.1716 4554.2214 44949.0732 334.0072 36927.3605 79.4406 473.1747 2317.0128 1943.8080 10369.2874 3313.1388 12319.1870 494.4162 4348.7733 5957.9584 71.7208 357.2775 5412.4518 869.8256 253.9331 5142.2963 362.0349 348.1410 59.0572 85.1163 61.7818 61.1303 7708.2334 61.7326 8865.0846 34377.4852 4724.8702 1697.6452 680.5633 127.6686 1168.0731 232.0285 4711.9715 2032.6954 4672.8184 1323.2181 1469.7391 13396.2954 12784.4682 885.1541 217.0535 18788.4034
Avenestergenin A2 13395.9467 15167.4902 10073.7184 9624.7618 9351.3458 7552.6104 8149.3769 13814.0404 13666.9504 13976.2512 17937.2151 4536.8857 12211.0667 19255.8437 746.6537 12444.5890 17688.6475 29431.2951 37231.0961 9282.9205 29714.4714 10687.4905 9436.1640 16992.1381 24252.9739 17236.2872 3274.5253 15602.5714 15235.4229 14399.8081 14171.8423 14680.0984 4066.5945 5330.7496 24260.7427 27372.8901 4052.5444 16593.5927 15051.7510 32123.6289 40848.5428 23312.9665 29506.9267 30203.5338 10444.6621 12477.7340 15185.8132 8627.2480 45081.9106 23540.0316 1282.4859
Avermectin A1a monosaccharide 2292.9461 21134.0887 15502.8015 19499.8754 3151.5099 114.1943 4404.1079 10466.8222 65933.9322 47761.6956 18755.1555 1156.2480 18751.9498 4758.7354 15896.0604 5365.4539 5583.7542 142182.4302 80436.7061 6048.5218 7164.8864 18274.0546 120.4865 19448.8552 20001.3921 114437.1656 4721.6443 59429.3831 6791.5254 21158.3364 4077.1296 16046.0790 19216.5184 8879.2189 25059.2698 58789.2559 18240.8213 3535.1254 1022.1678 2358.6360 776.9327 1780.2026 1051.5608 34550.1419 7802.1901 6636.9374 2892.7274 216.0269 18635.9210 14453.4505 13109.6061
Bambuterol HCl 1378.9875 16340.6056 4130.1395 5066.5643 668.5219 4683.7974 3990.4974 4897.9511 4589.2935 7954.4920 9659.7181 11794.9230 4720.0651 400.7062 1445.9450 6576.6939 4343.0784 1787.7328 3778.9063 3582.2619 14997.4479 1491.3075 3488.4287 31115.5068 8550.4565 2176.0688 7132.1091 4222.4053 361.0243 12731.7964 5552.6262 2594.3920 4378.3569 6150.2708 4008.3412 1358.0079 1684.0644 8640.9688 1276.7663 5818.9891 28035.9109 10545.4443 4724.1703 6871.2667 4959.5858 8007.5190 860.1838 661.3592 2510.2635 13114.1148 951.3527
Barbital 4312.6714 4218.6761 3148.2084 3750.8010 4727.9149 3809.5164 3924.0473 5055.9675 5221.7880 3943.9767 4244.5703 3413.6162 5946.3721 4233.0249 5262.6324 3219.9447 4812.5262 1610.3364 3311.8951 5430.3471 3951.5409 4616.0398 5069.2133 5693.3028 6029.8307 5228.2040 5074.3690 4126.6240 5082.7329 3797.2408 5405.6524 6303.4107 4203.3243 5925.4060 5410.4301 5676.9543 3335.5042 4047.5611 4182.6034 5049.7706 4946.5028 4280.7592 5777.1186 6445.4331 6005.2468 5530.6026 5179.4175 4810.6297 4531.4072 1237.3492 4961.5324
Benproperine 2466.6621 2174.5158 948.8675 342.0042 405.6352 9627.6149 3291.5825 1225.6058 2236.9023 3511.0041 342.6152 2773.3994 2575.3098 5039.9167 2168.3356 3647.1433 2199.5988 335.3212 2935.9274 980.0195 383.1701 1907.1521 3558.3857 1746.2878 1888.0560 2564.9723 2377.0890 1099.3526 9129.4717 2005.1235 9593.3413 4207.0704 327.2005 2909.9969 2289.0582 1745.9000 1927.7205 2995.5766 367.8093 338.5190 891.1634 2308.3781 2715.0536 2140.2458 2544.9115 3894.2044 3710.9771 1503.7442 1847.4553 2974.0562 2304.5348
Benzaldehyde 13561.2213 8270.4852 13772.3028 8058.9544 6771.7200 90958.5331 12013.4406 8623.1997 8569.6160 7466.5702 7131.1758 7520.0021 8481.9419 5124.6784 8388.1222 16027.0333 6737.9014 9019.4735 6109.3242 14398.9703 11403.8823 7713.4084 10491.6670 18019.4584 11941.1726 18912.2374 9655.0771 7212.4624 20494.2448 8889.3082 8667.8024 20310.4278 10487.1528 6631.8972 15922.4631 11434.5639 9178.5282 13401.8990 9187.4784 7211.2288 12851.1483 7876.4162 10924.7909 10882.5485 7276.2956 12740.1696 34984.0802 41454.1834 6263.5413 10241.8596 5746.5795
Benzamide 9280.2628 103.1948 48719.4350 1652.5549 12945.7225 49239.3946 28719.3637 10550.2173 17624.8747 1239.9595 1461.0332 10999.0111 17276.7771 7148.4381 21726.4785 48168.6103 676.7352 1958.8860 3824.1894 53618.4178 1261.0150 57403.7628 1230.9621 1895.0646 2775.8632 1400.7803 4344.2360 1644.7114 1791.1008 1740.4824 77115.3133 1670.7778 12538.2737 27544.7715 3357.2347 5063.4113 13467.7789 2575.5203 2763.3394 2051.0461 1880.4008 2295.9558 1246.5779 2417.2130 2986.8311 48445.7207 49744.4694 64461.9455 2322.6023 2795.7076 74714.0410
Benzyl-dimethyl-[2-[2-(2-methyl-4-octylphenoxy)ethoxy]ethyl]azanium 37514.6295 18049.7591 11729.9443 3672.9171 4047.5406 2007.5449 1011.8626 1929.2694 13304.0469 12594.4004 14259.6872 3544.8022 18144.6793 14801.7757 2025.1310 5752.0074 7085.7899 10898.6903 8639.6745 1589.5833 21541.3496 6051.1203 404.9800 14408.5839 13497.1003 68003.4807 15104.0831 8295.3566 21975.2326 6349.1166 49764.3159 24517.0026 5658.4313 14847.9264 44529.8481 3897.6344 11935.2226 81041.4740 16043.7303 5268.2159 14124.0246 37291.1463 8422.0578 12314.7622 2545.1221 6621.7601 15126.2582 1149.7000 8001.7550 24321.8807 4201.3698
Benzyldimethylphenylammonium 12670.2697 735.0428 3321.7602 2806.0129 4913.9900 2724.4792 3401.9580 20878.6200 2015.2592 2210.0508 2084.1890 4339.2036 2196.0100 4042.0355 799.6463 3754.8808 2423.3086 753.2805 2169.5854 302.4357 3592.9071 411.7426 3285.4199 5858.5098 7671.2399 7255.0649 360.6758 3918.7928 6108.2433 3284.9521 4228.4793 2201.4558 2918.6276 2726.8558 906.8960 1544.3373 355.7974 3417.8994 351.6687 2092.1319 3784.0249 1877.0677 949.9607 392.2187 2206.8390 8416.3098 2023.6163 3372.7852 2946.5099 698.6728 2791.8507
Benzyl methyl sulfide 292.4415 609.8733 1919.6398 599.8280 257.1584 530.4447 344.7506 636.4645 2274.5176 1091.5262 69.1813 1289.0666 959.0218 62.5503 695.6665 283.5972 324.5096 834.9027 707.2075 331.8310 1139.1030 895.6201 915.8500 56.6758 1481.9708 1760.8570 617.6523 312.8504 335.2609 217.1825 584.4039 1638.7426 93.1134 2063.0529 2726.2516 21596.5400 708.8824 971.9787 54.0294 56.8294 56.6240 394.0947 328.8534 709.5443 68.4477 1647.5138 556.8870 791.4556 68.5840 862.2620 66.6730
beta-Alanyl-L-lysine 10354.5293 8205.1703 9747.1728 7066.8233 962.3536 219.9233 7947.4171 8176.8447 753.2770 912.3953 12131.8409 10977.7543 9297.2183 11229.1072 7624.2995 2603.4408 229.4982 9536.1851 941.8323 9099.4848 1106.3099 8266.9774 5014.6157 508.9758 10033.2325 9537.1304 23244.5643 9288.8613 1252.9478 18250.8439 10888.6014 3531.0578 3872.9029 5193.4862 8198.7152 1191.4159 4091.0368 456.4702 15062.1141 3268.1201 3001.9630 129111.8895 7011.6898 462.5908 6642.6998 244.3299 10016.0828 6970.4328 721.3763 4592.7317 7043.4103
Beta-Amyrone 12247.3030 10989.9417 10521.0846 9568.0476 13831.0286 11318.9093 10477.8217 10569.6368 10800.8009 12208.4259 10606.2220 10438.9951 11530.3440 13306.5256 10042.4254 12591.1491 9681.1045 13297.2110 14322.0110 9599.6066 10636.8308 10537.0532 11904.6411 11235.1346 10686.2020 10189.2478 11054.8398 11342.7435 15725.7057 12049.3201 14161.2514 12123.7348 10730.8296 13096.0177 10818.9040 11282.1395 12358.7833 14424.1206 9424.7194 11834.9991 17310.1982 11738.4434 11986.0285 12691.6143 10704.9473 11174.5331 12099.8003 13642.7336 12064.5987 12823.6484 11242.7447
beta-Estradiol 17-propionate 4999.7534 7197.1796 4094.8774 3739.4285 6293.3430 4353.1854 4221.4691 1546.5991 1675.8581 6775.2778 2418.8735 3697.2103 6206.0065 10042.9297 379.1585 883.6194 5123.8838 9038.6140 17538.3366 185.6979 39155.5279 4097.9516 4622.7795 5247.7366 13324.5896 3754.2837 6763.4013 6975.4651 6256.9200 3148.4675 1688.3249 6851.6570 4403.5201 5030.7300 6807.1526 5208.4072 8529.9032 6756.5962 14800.4908 10410.7618 23811.1709 20878.6433 22717.5495 24866.1605 4952.4716 3331.2788 1468.1979 4670.1209 29730.0104 45096.0262 1856.3778
Betaine Aldehyde 35151.9361 7595.3949 110.9760 71047.0692 10560.7247 9931.7795 20778.6089 2315.9288 15303.3183 1941.1721 14628.1954 48722.5962 2595.8780 19771.7616 9896.2096 59979.3435 21439.0520 22250.6613 2159.5473 33072.5651 1225878.2660 628.2431 10753.7383 24454.9650 11683.0399 53223.3383 2186.5190 31270.4094 51111.3527 137653.6807 42197.9798 74370.9266 5240.1107 24882.1484 129.9652 37803.3003 35027.5128 35646.3264 63628.1257 35620.7971 4389.6521 261.5408 6040.0485 259.9861 12160.8263 35240.2763 64503.1348 23905.5249 1433.6914 58939.9994 11726.8169
beta-Muricholic acid 64105.6611 237356.3537 76587.1208 79208.9313 188087.2000 2790.8778 55190.3250 157394.8813 94603.3985 156596.0162 409178.3379 3293.3095 159541.1915 242162.6282 5408.3841 16396.1335 86618.8538 179587.4935 325144.4062 88702.5737 191696.6411 175669.4103 906.7332 300431.4367 470303.7735 34671.1665 121133.3447 424966.3430 63668.2532 88949.6664 18584.9061 37217.8825 484309.0275 131235.3087 53979.9149 135848.6669 272083.0740 248385.1009 408043.9266 296331.6745 267538.3807 332729.4031 40344.7342 46088.1850 2388.9968 43864.8827 318518.2875 53461.6546 103741.1586 47039.4194 48161.8665
Betonicine 2693.8566 8890.2545 2904.5307 1915.4414 2524.5644 1548.5316 2113.4860 7161.6878 6058.0218 5005.6191 11621.9383 1891.0484 1015.0667 6984.2668 4044.5752 23246.6891 2392.3248 6134.8073 12121.9511 9271.7570 10593.2957 6246.2500 1313.2623 2944.8987 2957.0464 6044.7535 5887.9175 3946.7248 4986.2013 5050.5826 4381.2291 3806.1214 11850.4334 35299.0929 7313.5962 5979.7561 21050.5355 2919.7332 9239.5597 8123.0438 9002.6394 5788.0443 18252.9867 6516.5507 3065.7445 6921.1542 2828.4504 1842.3612 19716.2148 8567.7925 3852.4442
Bifenazate 375.5611 1565.0488 1625.3006 1452.1851 577.6410 1529.2128 2224.7401 1110.1453 887.8948 1442.4355 1253.5391 1665.4918 1292.2123 925.4924 2179.4833 2065.9284 2219.4135 1822.6897 393.4534 1141.7118 375.6432 1780.4983 1944.3290 1259.0298 2394.3789 152.2745 2129.8973 1060.1689 1413.0909 130.9545 1017.4090 2380.2871 1342.6119 1950.2968 2525.3274 1618.3208 587.2355 1980.8287 1034.5339 1224.0698 620.3899 1085.3587 1963.3230 1670.8727 2547.1281 1966.7535 1248.8517 2013.0009 1674.4304 1602.6779 2503.0501
Bis(2-ethylhexyl) phthalate 8506.4722 51162.4737 12011.0025 12545.8960 38491.9294 17593.2714 13400.0395 31481.2323 16345.9366 30258.8889 95842.6667 16401.6225 28352.3160 52322.8000 165.7682 2002.8825 15160.6612 36191.8989 70176.5579 15885.6638 38055.6828 34816.7829 13001.6849 71882.6467 113550.5212 4584.5811 23319.2087 111214.9800 10779.4307 16501.6893 1840.3892 5413.2392 119117.6369 27072.9700 8466.4373 27442.2110 64995.7185 59583.8688 103542.3825 70911.4109 59001.1485 79979.9443 5829.3702 6137.3469 13345.7544 6250.5500 73555.5384 8882.4950 18903.7520 6454.9178 7583.0331
bis(3-azaniumylpropyl)azanium 2783.5217 4643.7704 8625.8036 3032.8692 12883.7707 23149.9841 13580.0153 642.4017 82695.9588 3702.9449 360.8759 12900.2886 6572.9996 9010.7368 9627.1740 116916.1113 477.2365 2473.7165 951.8761 2457.4365 435.9809 31796.9116 26067.7172 5171.7209 1434.2012 15200.4169 2591.3929 11422.3477 5622.0108 20856.4792 54963.6517 2023.6642 551.4924 157890.0714 16256.3481 864.9164 40441.0367 2909.9085 80.2471 20564.6175 14566.0434 15103.2897 252.8349 4763.4118 6503.7512 47169.7733 17823.8229 1086.2626 3808.1814 5477.4840 37196.0933
Biuret 228325.7858 5028.1605 132158.9483 32785.9045 621140.7975 3250.0360 10413.8350 143585.8047 1747515.1390 32921.5972 585.9900 747863.7476 3136.1537 21449.1548 363060.4586 15496.4226 2778.7622 6540.0981 65015.4349 298309.3743 10896.1200 14789.8080 167870.9671 17918.1214 9312.1762 243818.1442 3709.0431 14685.0578 57283.5259 47998.8389 110017.1672 15937.2722 9760.6490 3442.8759 138356.0366 303423.1272 3593.9968 23258.8133 5630.4382 29641.0021 32015.7539 16426.3147 122118.9761 97935.1641 413656.3885 28685.4306 30218.2740 112782.5730 463021.2743 5689.0344 345619.0762
Brassicasterol 24732.9104 23220.5044 15066.0025 9688.2016 9679.2324 8534.7440 5384.3455 8675.8217 32900.9381 24535.8888 20809.5362 24806.7595 25487.5988 18333.1463 6239.3053 20891.0969 10488.3123 18033.9870 16563.1681 6380.5102 32815.9815 13524.1583 2027.8669 14800.8223 25372.2684 146445.0017 20289.6525 23065.1471 24479.7131 30332.4411 42871.3021 37021.5010 63250.9169 32087.2940 44850.6813 9367.9203 14049.9937 86579.8769 18548.2560 12214.1341 37748.4075 26458.6811 16497.2089 48317.3282 5733.4373 8688.3701 11851.5547 8521.8371 14835.1918 29526.2497 9581.2084
Bufexamac 7148.2427 537.1400 5036.1225 567.8526 2571.3597 174.1851 5911.2039 5387.9258 5358.3998 1305.4381 1964.3656 22645.1295 6247.3889 2414.5599 1129.2967 5821.2557 5724.1497 4706.2804 10465.8595 5478.5087 23150.5864 3347.3228 7050.3621 10700.9034 6526.3590 6911.0476 7735.8438 1617.4815 1011.4084 26469.9687 5660.6229 11928.4790 6767.9657 6345.7845 5293.3484 5364.9658 6906.1572 1792.9783 2140.1376 12477.0429 4570.6209 8124.0959 23417.9004 746.4303 5506.9676 742.4173 9221.1579 5601.6916 2439.9042 8158.3459 6005.6663
Buformin 4812.0652 13309.4932 17060.4477 18987.9235 16186.0703 3803.0154 8657.0201 30031.4001 18158.8430 9442.4950 3444.5013 12425.1223 12233.1203 6338.8278 4421.8991 18262.4034 34174.1268 32950.0814 43097.9948 5289.6382 175994.0832 11467.8230 4171.5345 54793.7434 14603.0545 8984.7858 20838.2766 6179.5982 17878.9763 9923.9506 23582.5612 12664.1303 12081.9299 3845.1659 54496.2672 16963.2188 3936.6949 18180.2544 10245.1119 27166.0877 27955.7873 21671.3096 16488.5182 13937.4160 5553.4853 49621.2690 14647.5184 6651.8740 190200.5882 18446.7005 30185.3161
Butacaine 2010.0022 17171.6607 2733.4641 4162.7593 449.4232 4512.4985 4757.2917 3433.0406 3891.7014 7192.3578 2010.5264 2191.2667 3887.5785 6197.3964 2753.3047 758.5405 4091.7503 5665.2713 2538.0788 1231.2297 3305.6150 333.4771 4047.2618 4584.9181 6440.1894 5398.8163 4371.4231 5146.5198 4934.9330 6580.2531 6669.0555 19082.3325 4512.8657 5918.1692 4498.4545 3631.9000 10031.5602 4333.9848 5334.0272 5015.0960 5529.6551 7034.1766 4716.1758 389.6018 5301.1197 4739.5549 820.5218 3882.6324 5845.3234 4066.8605 3777.5264
Butoctamide hydrogen succinate 4644.3127 1256.0794 4408.2386 2732.1474 2826.3953 3217.7536 3778.0281 3503.1615 3871.3326 1809.9180 709.0113 4202.5156 4249.8206 711.8394 3885.5973 3376.5419 3546.2956 3641.9913 6175.2507 3964.8589 11895.7772 21852.3992 3546.9195 3236.6491 1152.8292 4105.5508 2065.4205 4286.6944 4414.8209 4032.5506 4742.2105 4469.7903 637.0252 364.9580 2988.2563 2149.2142 4517.5728 724.4562 1363.8981 1642.2741 19904.1833 4280.1824 799.1135 7549.6076 4899.9409 3874.5009 6095.7493 3483.9607 1390.5655 2927.6486 1168.9975
Butopyronoxyl 12464.3115 16386.7077 12720.8710 17081.1618 25805.3455 10957.4165 15379.2635 13838.0843 14063.0687 10201.4823 13836.1652 11889.4663 11877.2749 12482.1749 13629.0765 12349.6429 11777.3311 14856.3781 10842.9230 14228.2542 10733.1591 31347.3374 15625.6147 15747.4929 15702.8428 15488.0942 12565.1905 13621.5116 19851.4471 13251.6905 11605.3083 15730.8822 12601.9503 16166.1472 14338.7962 12412.5933 14469.0736 14367.9775 14556.0359 17216.2230 15329.1727 13383.7186 16323.6475 11162.6121 13165.3916 14600.1783 18239.1027 14789.7627 14581.8737 14841.6914 15626.0663
Butralin 650.3077 1794.5311 520.1884 139.8947 250.7366 146.3872 433.3400 147.4331 172.7185 355.7055 932.3997 158.2334 600.5655 2213.0561 493.9381 323.8286 409.2295 786.1289 396.7193 445.0040 2872.3711 888.2129 518.5733 405.7625 351.3179 151.1445 1169.7395 1854.8406 627.4275 1437.1945 304.1391 657.7167 1017.2179 979.3524 560.8251 811.5291 2486.3415 332.2850 1193.5791 1536.7597 2287.5727 1313.0062 193.6847 701.1247 147.2472 1196.0579 921.8696 507.7249 2219.0832 490.8767 127.8386
Butyl undecylenate 17050.4527 6311.9589 8074.8115 21165.3581 2166.7217 5246.4922 1511.3923 3641.2282 3811.1039 8524.9616 3636.9715 1612.1589 244.9740 8587.8516 7195.8747 6351.1271 884.7768 363.9794 3666.1461 2241.8448 3561.4434 12879.2903 285.6296 6766.4825 5561.4089 6299.5498 2739.9633 8044.2217 9322.6337 1066.0405 13626.7325 7526.2302 8310.1516 1883.0442 1892.8093 3914.7710 1462.6377 4771.3871 1778.4597 2864.4738 2185.7240 1794.1574 2348.8020 487.0631 2364.4675 8862.2882 3568.6027 4517.3472 180.7601 410.4138 3963.1144
Caffeine 15817.7384 23807.6760 3884.6896 20475.5903 6416.3869 12828.3799 29858.8087 12312.0405 824.0054 7301.4203 21860.3062 6220.8127 17473.4352 1735.5970 15615.9351 17187.6309 5996.5911 31727.3721 37602.2786 16101.1611 220.8934 17906.5610 19791.2540 20235.6142 25827.6827 7405.3517 14903.3609 22117.1595 71826.7177 55635.3374 19445.0590 4353.7417 27964.2357 23479.5831 787.6487 20744.7123 9395.2360 9238.6439 77824.5914 21379.3024 28174.5630 45845.4332 22717.4925 1723.7971 31467.7186 17957.3626 21507.9418 4930.8709 8851.7404 22384.4222 13173.1357
Caldine 182.6578 237434.4541 44535.8715 34265.5984 190.0639 2852.6987 57485.0183 16830.7493 17232.9064 485.6795 128.2818 1480.0183 40148.7328 69208.0633 33007.9964 1333.6799 9358.4384 41072.3783 115731.1136 27339.7337 90149.9416 2606.0868 30454.8021 124.6969 77799.7409 243.1402 117.7048 76706.4263 29332.6489 94067.1224 73534.8513 36644.2205 63972.9821 22705.7421 1643.1667 1182.5046 5628.8922 109.3725 562636.1380 803.0517 121904.7581 86324.4831 1959.9727 778.9500 147.6761 7212.3687 41043.0759 37521.4350 17388.5462 269113.9729 28299.5163
Calenduloside G methyl ester 708.9154 8175.5784 8003.8617 9112.3191 622.4930 2950.2116 3247.6221 2413.6581 16420.6179 23001.3819 4125.6909 211.7131 11368.3112 1676.9902 7300.3326 4452.8084 2861.8126 65402.6683 42837.0881 3803.7608 5071.1602 8159.3700 3354.8683 9144.7949 7101.2846 49110.7635 4848.6399 31780.1824 2775.8943 13167.3573 1520.8380 6160.6774 8122.8936 2939.4191 9678.6124 14633.6854 7812.6845 329.4180 186.8160 247.4825 210.3783 2978.3554 5164.6418 17985.2475 3970.8033 4707.1750 948.0526 2938.3312 8801.3421 6038.2993 2844.8659
Callystatin A 2576.1068 4164.6882 1917.1020 2498.1932 1070.1740 2283.6294 2485.9442 6734.5950 723.1657 2881.1602 10843.5545 2600.1432 1474.6570 2126.2991 2777.8964 160.0573 2559.3495 1402.3135 12460.1942 2100.1546 3825.9287 2982.2454 2221.1261 3348.4165 71.7807 5246.1433 5303.7718 245.6455 1597.7421 1792.9296 2998.9920 870.5440 3639.0857 2187.6095 6393.0292 10305.7732 11309.1269 2175.6728 3416.7083 7263.4591 264.7985 4683.9461 3172.6623 996.9263 2201.1911 79.0185 9540.0846 2213.8992 3458.7933 283.9788 149.1248
Camphoric acid 1714.9388 1179.5772 2967.9206 3539.5236 771.1864 1380.0768 2232.6100 935.9189 1424.4722 287.0793 1727.5251 2381.3230 2043.1683 259.7456 474.4819 1768.8198 1351.5232 1589.4972 1279.6622 1321.7224 2063.9214 258.4525 1718.3823 2092.9369 4111.5581 2111.3740 1245.5572 3970.3940 2116.1740 3847.3983 1464.0605 1778.8205 2184.4581 1985.5835 1672.3491 1391.7846 2256.8493 295.1892 2063.4111 1804.4213 4001.9297 1804.0035 1635.8229 2860.0084 1537.6560 1810.9768 1763.4311 1534.3840 1642.1538 1535.4562 267.9085
Canthiumine 1649.5813 1846.2322 920.6498 1850.1414 566.8267 395.2239 596.2541 1590.5451 1769.4344 637.4503 548.3940 1380.8222 925.9055 1603.4930 1184.3395 1201.0255 1245.4618 1602.8908 1769.6956 1382.2123 1998.8839 1829.8600 1179.2773 1760.1105 1609.4226 309.5178 1686.0722 1673.9754 3332.5774 1104.3128 2036.1019 1424.0612 129.3489 1456.6035 176.1445 3470.0646 2116.1216 5119.0028 1321.9605 515.2504 1076.3529 877.3264 338.1764 920.9159 1312.7487 76.2670 5541.1637 1399.3007 6125.9198 1407.5525 297.4890
Capric acid methyl ester 3820.0192 5012.3755 4780.8604 4726.4047 4435.1887 4938.9124 4923.0280 4888.8518 4085.2006 3880.6081 4478.3246 4664.1922 4897.3872 4522.9519 5021.1748 4963.9492 4586.6114 5138.6329 3130.0913 5308.9135 4485.2251 5100.4704 5561.4849 4724.4405 5029.3915 3665.3068 5068.9829 4655.3008 5278.5835 4920.6206 4634.8775 5309.3186 5329.5669 5216.7922 5542.8696 4544.7405 5011.1791 5452.3040 4946.6722 4977.7568 4882.1565 4955.4888 5360.2431 3416.4864 6032.9054 5174.5426 4938.3747 5378.9572 4093.4610 4360.8590 5179.0099
Caprolactam 13598.3197 14482.2107 42816.5674 6545.7818 344837.4489 110887.9215 13003.5224 11505.6783 54396.4646 23185.3865 40055.0056 164453.7226 16784.0079 9650.6634 19096.2729 102722.0710 49905.2029 9340.6354 23055.0078 85600.6573 2436.8928 250607.1685 3525.6327 9280.1857 16405.2339 16926.9499 14400.2169 56384.2545 7884.9695 1998.8195 15558.2282 66699.8412 9208.0750 1452.6443 56403.2929 19353.9572 53399.5765 33362.5150 10980.1378 6357.8880 7382.5552 9496.9674 2723.0536 9967.7378 51586.1294 41479.2908 18146.7245 12703.8612 13256.0036 35352.7381 31332.6037
Carbadox 1145.2696 913.5948 1074.6303 855.9158 767.6740 719.5302 1265.9058 931.5099 1055.1724 790.3097 698.1064 1035.5430 1034.1297 816.4092 920.1547 872.0632 1339.8896 1148.1775 866.8621 1435.0712 583.6241 1073.0593 1049.7262 681.8087 592.5974 649.7102 717.2361 460.8077 375.1078 118.7978 448.2251 619.7977 583.6454 237.4142 737.1788 552.5912 397.9709 120.9032 124.7023 510.7805 550.9314 201.9400 626.6161 477.5469 1017.3179 752.2359 732.4219 676.1034 608.9734 540.1751 634.6723
Carbamate 13847.2416 10984.6310 9262.0867 13472.4958 11052.6508 10995.9954 12465.9709 14694.1963 11342.1436 10889.5585 10197.7270 9833.2048 7246.2464 10349.5484 11331.7239 11695.4072 8246.6462 10853.8779 8549.1202 13768.4973 12421.2377 9726.3231 12819.4616 12205.5338 16451.4923 12064.2493 13618.4155 5821.4487 13820.2623 15411.7820 7586.0709 13102.9885 15231.7240 8815.3284 12441.4179 15490.0879 13719.4783 12118.9455 11707.1699 15439.9023 11906.0991 14302.3264 13216.0843 19537.4823 13913.2752 13085.2349 16090.0893 12891.6769 14443.4589 12565.1534 10845.9456
Carbenoxolone 58130.3553 50778.4964 675075.2660 28685.8908 499247.6701 135149.9408 101892.6834 570156.6690 288077.9328 110922.8588 73746.2915 171049.8364 137253.2078 173037.4324 21992.0953 60999.2875 257925.0815 37863.0083 95878.6668 34039.3263 59732.1202 188429.6625 69573.3656 1629875.0740 282738.7480 1059645.5140 183716.5609 239290.6074 165275.5551 1197774.7650 210374.2695 96447.2213 1851785.5440 164646.6013 186540.2025 106871.8142 44454.4101 413602.4502 161083.6171 56963.1885 183028.5072 61936.6171 26540.8319 75570.4525 941092.2506 181187.4280 214018.4898 162815.5221 122044.8270 105708.4093 1009473.0050
Carbobenzyloxyglycyl-L-norleucine methyl ester 3188.3951 5194.9643 2060.1907 547.0101 5747.0392 1858.4819 2263.9922 4858.9218 7205.0924 2069.8145 363.1571 1235.5107 2407.6090 3303.2362 3180.9828 2774.1930 2565.5601 287.1209 1844.0560 1570.5978 5970.7584 4143.9050 1297.3123 20223.7821 1970.7162 1544.1129 1213.4991 4371.2409 2832.3177 7296.4742 22734.0524 3650.7410 4165.5519 3048.9155 2197.4299 1337.7217 2253.0670 7251.3258 2272.3541 1941.7220 6997.7932 4000.4979 223.2332 2903.9881 1369.0045 13948.3805 6262.8174 3013.6068 2960.5021 1552.1784 2392.7848
Carbobenzyloxy-L-norvalyl-L-norleucine 7683.9145 13540.1785 649.6643 10979.7602 8518.3143 3659.0292 2716.0844 13037.2064 1396.7753 5573.6868 934.0882 7294.0238 3085.6044 11584.2549 5597.3806 4854.6312 7548.4322 5749.7611 32938.5237 3120.4918 117043.0947 1909.2309 197.7853 4778.5458 1866.0848 11229.5462 10193.7806 9327.5870 6134.3051 6159.1620 10282.7442 6149.7052 6799.0368 292.0078 6635.4014 5417.3171 5953.7702 5216.2330 6106.0718 8200.9903 8226.8866 19725.5973 4863.7714 3013.5712 2597.8920 12594.8487 1563.8811 2822.0541 65317.2303 6879.8936 8423.2151
Carnitine C13:0 1043.2636 445830.7097 220801.3800 665852.1039 220784.7290 89569.6511 104774.5095 229975.2565 9339.5188 472278.6371 300171.5404 59310.3771 517762.4532 30537.6671 26326.8446 1637344.4260 9172.7662 282148.0726 420149.4458 458469.1175 907135.3766 94733.1643 38614.5669 12019.5021 571899.2801 490695.0597 6232.2515 405598.4374 312941.0957 827443.8411 33372.6343 367208.0895 410685.4754 997123.8515 5470.4187 376522.0919 455494.6307 2585.5954 535318.9439 445925.5873 767119.2790 614201.5799 752793.8762 578767.1377 383258.0422 3814190.2440 1844447.6410 108063.7550 682364.2611 14196.5986 7213.5769
Carnitine C16:0 4985.0098 17237.6401 14309.4541 3201.3296 24923.9822 153177.8910 14364.6731 4621.3636 52475.2560 3955.5332 38688.8986 3842.0457 171734.5933 52745.0415 24589.6891 2191.0072 3189.5754 6500.7342 41035.7584 97825.9795 44871.4859 84391.7966 11281.1216 2517.2082 1534.5378 15926.9362 12295.3577 182802.3342 212731.1256 1818.6949 109797.8774 1390.4592 40106.2691 57839.9898 5792.2642 32596.2680 55992.3299 14160.1703 40944.2120 36533.2820 51830.1161 49424.2134 46558.0895 45098.7006 12564.0317 42175.8334 181926.8902 35228.9843 37828.5989 620.5250 16112.8041
Carnitine C18:1 11238.6080 11839.2615 9630.7911 12179.7710 51313.4734 75766.4385 18171.0913 5024.5388 61463.7694 10418.6561 50404.2086 5452.2988 556327.1345 66131.4734 46784.7386 8660.4116 5037.5711 4110.8952 55961.6277 104051.1664 65411.5053 323463.7378 4965.7339 774.0070 3262.4624 16555.3107 3624.2294 105910.3950 345430.8487 3208.0828 93884.3446 174.8914 50089.0182 94528.0354 1623.7662 58616.1692 87388.5398 51375.6130 65407.5388 53554.3446 78485.6117 68149.6214 84622.0828 62427.4689 15403.8632 18751.1416 201961.5687 40495.3145 59281.9501 53564.7548 11309.2972
Carnitine C19:2 29416.5722 37939.2782 39513.4562 30662.5639 39152.7957 35611.3285 38986.4550 37966.6851 37290.5314 36204.0620 33129.0119 32435.4901 37384.8907 31306.2889 41958.4128 41480.6057 37709.5631 36419.2938 25734.6890 39486.0010 33685.9341 34761.4739 38068.3324 40819.4979 39063.9008 38701.2837 40472.9602 38973.7806 37499.5840 40147.1780 41866.9881 44270.0199 40135.8033 42613.9966 37814.2453 38259.2068 35887.2021 42057.0484 44882.7300 37041.2053 38405.4446 39579.3113 41610.5180 12563.6290 40343.8580 45551.6001 35967.8015 41136.2794 34509.5697 35924.7982 46893.2526
Carnitine C9:1 714.9019 253.2469 824.3719 798.6150 879.4195 713.3759 351.5311 4465.5563 1163.3475 221.5403 843.1089 282.2697 928.3787 2993.4658 702.6205 837.5812 591.3765 509.7013 1092.3981 263.6241 1122.1319 761.5592 952.4214 1280.2557 783.9901 2981.8721 435.8769 2211.0623 1325.2289 1393.3023 1207.4381 1325.4015 1149.7738 251.5848 811.5263 1676.6164 511.0714 855.5140 986.4911 1295.9419 555.1645 1021.7837 1636.7911 549.9335 217.6904 1068.5185 1170.7929 221.3815 1048.5597 2531.3096 702.5287
Carnosine 72805.8435 296.5609 12087.2856 4715.4524 7109.1166 23388.6929 20134.6627 74790.0570 11232.1496 797.5725 10726.8444 36305.0952 1494.3578 17954.4341 11191.8228 6270.3365 5798.5821 3260.6681 8351.0985 7591.5855 799.3499 8932.8615 12216.8599 240.8257 2811.9213 57456.8904 5359.3740 9088.5078 36640.7867 1139.8589 1980.3000 23956.3379 18216.2761 12433.9123 8088.5593 8970.0141 17785.3838 637.2631 3826.5194 1557.5247 15158.5935 179.6448 1247.6828 7593.6958 8176.1003 7645.6729 13190.3324 12486.2980 6303.3053 24921.4700 26361.5842
Caryophyllene oxide 71995.3732 6130.7572 91.5374 896.5169 4991.0887 4601.1757 3008.5136 389.9154 575.6722 4027.6299 1199.0618 8100.4488 13178.5486 1713.4706 189.8355 29484.4208 2350.4871 1214.7441 5955.5983 7474.8067 7608.4503 3929.0062 21527.8448 1397.0660 138.6879 2243.7253 2136.8616 3917.8937 4120.3975 8040.9942 59024.8171 9379.2096 887.4310 685.6030 6154.5430 4878.7956 484.7064 2528.4435 98.0894 420.8473 6123.1750 572.6507 5379.7109 5628.7003 1355.1705 6355.9153 13108.6709 5200.7781 3697.3778 2313.5954 2010.2596
C-Curarine 71917.1329 88507.8645 3943.7029 59848.9516 37812.6421 50139.6329 41017.7593 54507.9428 45899.7543 70819.0022 23312.0550 76986.6806 42961.9404 73039.9674 4893.2802 47521.9951 50555.7537 44237.2998 87567.6525 43434.2492 122383.3023 45243.1093 49570.8082 36744.0515 257772.7862 1275.6587 4014.1220 73545.6753 73975.7913 5845.0705 67617.0366 55123.7523 54404.7906 23879.2025 52497.4444 56497.3689 35853.5311 53273.6563 198563.4759 35276.5299 427384.4717 92957.7402 30783.5111 148076.2124 56476.7662 64119.0443 58990.5158 70780.9493 112358.2939 92018.1100 50054.4613
Cetylpyridinium 173.1625 893.2156 1155.5810 138.4363 2529.4956 610.6587 1293.1486 505.0403 55082.7098 252947.4575 1163.0146 1695.7049 77.3142 441.9311 168.8693 254.2738 620.3153 1311.2293 252234.5843 1022.5483 869.8916 464.4536 223.0266 370.2245 177.3907 205.6379 413.0694 1868.6915 10273.5263 1741.8454 186.1986 3553.9894 429.0416 629.0737 1115.5041 1234.1416 2762.3735 303.3315 10111.0299 472.8654 1799.8070 293.8916 2395.9672 654.1471 4869.2497 10733.1957 659.8044 1096.0551 339.9859 993.0892 36591.3634
Chamazulene 21040.6395 15464.8933 7047.9529 9629.2485 7029.8194 4006.3992 3885.5086 33535.5062 6893.7593 10704.8334 28670.1182 29911.2074 3601.1563 2536.9623 7074.6741 18363.5319 2914.7484 6231.2524 6500.6014 1033.5039 26371.9028 5000.6196 34453.3987 28976.6815 16113.4246 14180.9292 14208.4477 2457.6429 24459.7891 52223.9946 3788.3742 19532.9529 7454.4439 9566.6669 17185.6224 16684.5133 8250.8763 16661.2717 12648.7277 5705.5185 13609.4928 13739.5409 15511.4663 19668.5794 31780.6384 13135.8498 13825.0776 28672.3090 34816.4662 30398.3621 8919.7072
Chenodeoxycholic acid sulfate 351.6255 181.0279 96.7989 113.5635 315.3453 204.6932 191.1113 1075.3306 813.9764 289.7920 427.6055 91.0104 105.1924 1881.1362 167.2096 443.4187 73.6396 809.5841 977.6467 87.3510 144.1977 480.3410 150.7743 97.5344 770.5131 3166.1260 512.4723 2736.7222 279.1669 2455.2985 2920.1467 7035.5892 620.5354 489.2246 593.2928 1277.6886 763.5241 181.1409 308.5348 2810.3484 948.1103 536.5408 451.4892 628.1918 97.3652 479.1820 421.8127 224.0772 592.2360 889.1066 491.5473
Chinomethionat 1826.5128 73.6344 10718.9144 13508.5630 2487.0324 176.0726 2672.6307 9835.9188 60504.6552 32227.9165 18448.2422 778.5433 11787.6429 3030.0707 11299.8460 4177.0405 4344.7407 102914.4122 57322.9489 3778.2171 87.2364 12542.8410 153.8079 12721.7304 13541.5685 79997.0139 469.0686 40476.3596 5706.6908 14666.5132 3107.9620 91.0616 9325.6083 7563.3219 18996.9566 56250.8316 12751.1708 3246.2707 669.2612 2147.8650 400.6806 2404.7938 1311.5363 24779.8626 6755.3486 5438.3439 2130.2047 77.8471 15037.4111 7774.7046 13135.6198
Chloramine 1375.3429 385.4962 1232.8471 541.1672 729.8495 180.1462 1284.9487 338.2564 260.0161 532.9727 447.3023 651.5896 296.3418 531.4742 821.9714 138.0208 659.5429 1247.6258 509.0549 481.9353 474.6420 177.5793 672.4371 414.7468 486.8251 497.0763 503.5214 461.4387 500.5113 535.7682 536.8712 556.3951 145.7411 556.9792 780.4119 186.8820 520.6453 480.2828 400.6059 389.5937 269.5363 467.1642 500.3736 597.2608 333.6087 547.1307 129.5780 555.3246 461.6868 267.9775 1427.7130
Chlorimuron 5529.0829 1386.2181 1345.3865 948.8123 1061.2338 2028.5992 2630.7097 4585.7291 900.3724 956.5942 959.0837 2049.9127 919.4561 1014.7727 564.7233 2633.4480 249.9895 1007.8783 1092.3000 1038.9953 1258.5272 235.8997 788.2980 1325.7365 1168.9700 2870.2493 203.3398 253.1957 1933.7039 1317.5113 1356.7065 2397.0563 1526.6954 514.0965 1760.8217 261.3747 439.0027 2115.4001 1043.6224 1214.5258 525.1348 1142.7165 1615.8011 814.8791 1164.6911 1689.6829 228.4823 2680.9823 1176.3015 1485.2579 2918.8915
Chlormadinone acetate 6473.2846 220267.6444 4948.5514 121039.5235 20395.8646 32705.2792 48972.0313 12875.1538 32275.6490 10728.8650 52437.9318 1135.6339 40838.8357 29263.7299 33900.0722 31540.1315 36626.2364 14979.0646 33111.8289 46856.8146 8892.1383 47671.3610 54462.3093 48654.6367 43279.4224 31944.9123 871.0963 30460.3660 9787.9118 43651.2607 37323.7577 36251.1914 255.6703 5938.5578 9655.2621 24862.7817 32546.3220 9460.7577 205608.4727 13921.3229 48258.4995 9356.1586 35231.4177 19237.4871 108910.6777 28770.9183 35403.7497 35927.4836 1167.8828 26498.0448 40004.0586
Chlorohydroquinone 24406.6288 25495.9679 22611.3648 6820.7111 24420.5679 23729.7242 16253.3046 18347.3921 22661.2435 21099.6943 21530.7281 23454.5102 19576.1218 21130.7556 20024.1653 21498.5177 44777.6307 25462.2887 22146.5756 23822.6324 20740.7810 32406.8350 24409.2195 28531.4578 19400.9587 19752.6165 22363.9001 20558.4218 23504.0569 21127.2736 21046.8007 20403.4001 19568.4197 19658.1785 17513.6431 21812.9474 21029.2499 21567.0088 20058.0191 19545.3150 15066.6631 20476.7929 14667.6672 22086.5290 20524.4263 21838.5932 17026.4270 20656.6381 21909.6000 21534.0058 20993.4225
Chlorophyll a 3959.6800 6646.0954 9616.9020 9080.5759 10334.8027 1839.9955 4178.4455 7982.6601 8781.9529 7051.4705 5046.0872 1780.3992 5998.7772 2323.4268 1587.8035 4364.1207 11506.0741 11276.3315 3473.3573 7725.2165 4964.6237 5966.3284 2969.4093 6338.5158 8215.9082 8203.2361 9305.9320 4417.6521 8216.4565 9759.3254 10275.7850 12288.7069 6262.0547 8515.9908 6736.6140 8673.2229 4604.8873 9068.6636 6127.3593 6087.0366 4985.1507 4744.8909 10574.4433 2582.5736 1037.0482 12220.1255 4355.9789 9191.4128 7781.8573 1040.1350 12899.1270
Chloroquine 4038.8209 5963.3991 319.3273 6359.3496 5009.2243 4505.2675 3628.5687 4122.2816 4207.3492 12882.1953 5682.7912 2174.9477 4506.1705 6747.1574 3459.4726 5317.4763 3732.0314 631.4127 812.6648 3244.9948 2933.0916 4992.4674 3754.9962 1184.6235 862.2656 5826.2926 10868.3793 4752.3402 5960.6564 8847.4065 5908.8476 4410.1404 8553.8684 752.9036 738.6120 3359.9439 18003.5267 6810.1815 19513.5701 10950.9896 9444.7307 3752.8214 8879.2480 4886.6948 4379.9287 4830.7121 5688.0580 3887.8044 1355.4648 904.8910 3298.8963
Choline 219864.2735 205322.5180 166757.1552 118197.4424 257683.7917 192444.1760 426888.4754 426644.9125 422734.1773 171051.6324 187287.9167 223966.3289 347318.0801 56191.9600 197682.5383 287051.7325 201545.4696 362421.9308 74440.0413 249000.1834 127854.0196 318182.6535 919853.6182 744623.5213 476745.7261 401622.2133 315851.3525 215361.3472 520009.1652 63207.1836 120710.6773 233009.1979 430683.5408 175487.6901 235084.9525 402293.4202 161935.0176 317124.1721 278760.9752 311439.1097 496942.3801 249264.1931 613921.7205 541174.8766 180704.3091 172496.4007 619176.4623 678801.2887 171105.4577 526320.8653 209632.1397
Chrysanthemic acid 1826.2633 1587.6257 1840.8184 1759.1274 1784.9519 1472.3485 2298.0537 1719.8147 2192.5282 1629.1731 1801.7931 1155.9357 2195.5574 1842.0075 2483.9328 2509.7633 2149.4034 1846.0901 1403.4649 2389.7976 1784.7708 1972.6790 2526.4899 2210.9532 2273.2042 2097.6434 1697.6826 1788.9472 2155.2904 1471.0742 1981.1244 2016.5281 1615.1880 2481.2631 2456.0433 2052.3283 454.5036 1728.0287 1483.2863 1957.3003 1981.0646 1407.5629 1822.3441 2347.5426 2573.9849 2611.6566 1618.9060 2513.4566 1672.6769 1938.1195 2410.6889
Ciclopirox 5555.2384 9245.0396 4430.4543 5882.5420 2636.9530 11495.3052 3199.0202 9395.0564 4759.1588 9058.4574 10838.5420 3654.0526 10961.9397 43512.3586 13189.5104 99983.2325 5911.0604 5409.9769 7867.2486 263.9066 17269.5038 4718.0368 5032.2227 7770.8052 2070.1203 5660.7715 4122.6223 2858.7070 2944.0933 22420.0921 1275.1560 4806.3033 6398.3094 3570.8366 945.5450 1361.9939 14298.5679 12915.6432 19987.8514 8636.1983 23287.0481 9410.3468 9470.5424 4661.0255 683.1705 10434.3717 3125.1588 839.8975 5948.2065 3387.1595 5579.9687
CID 476785 4446.8895 11380.8113 27615.3058 4756.9098 10268.8854 5130.3159 3417.4068 997.3985 2796.7755 20233.6469 1773.3587 12032.7076 763.7319 5739.0631 5292.8667 6624.6575 1660.6463 7023.5208 2090.0818 2118.8358 864.1389 1516.3124 21617.4879 983.9909 7235.8346 7477.8475 6041.4193 5802.5152 16463.3396 3372.2141 124.4185 17847.5454 849.9754 7873.8722 20845.5138 14257.4728 2358.7954 1803.2960 32654.1087 2604.1759 7813.6715 32512.0124 11052.4406 4606.0838 8028.5254 7308.2529 2088.9795 1869.5743 1084.2823 1418.1741 1766.2122
Cinnamic acid 19171.7754 12092.4491 22160.4732 11277.1040 11250.1960 14953.4419 19263.4539 14008.0403 12182.7873 11461.8688 10640.2733 9478.4733 13199.6753 7956.5367 13058.9961 26107.7824 9327.2042 10714.6802 10246.5335 23288.6162 16465.5751 11377.0264 16540.1156 23132.5041 19415.2718 29508.3292 14051.0678 10825.7493 32117.6718 12439.1081 13379.4257 26796.9306 15640.7849 10186.4298 25810.7750 17922.0554 7940.1211 21464.0125 13741.6094 11240.2514 20027.9243 11888.0313 15605.6975 17488.4232 11425.7619 19763.6726 47113.9839 45807.2344 10785.0524 14599.1171 8614.9643
cis-8_11_14-Eicosatrienoic acid 16821.8906 54017.4285 2984.1813 20660.4301 2865.4875 20876.5920 71126.8886 27347.4317 586.9522 47444.0629 2054.9907 18237.8893 23773.0728 3398.0427 6692.2687 15668.6701 16891.9872 1216.1265 5579.3121 34579.2227 21617.4002 9672.3012 185.3699 10140.0916 29647.3817 106478.2466 23020.5732 101.5363 1807.1755 1918.5229 34777.8892 71346.5458 9561.7221 12643.9276 2615.0355 11904.7782 1563.2635 15195.6292 2735.3726 27611.7247 74516.2141 13966.1000 13594.8844 4669.4806 125634.4543 94517.2910 4421.1793 105208.8180 117560.6151 38367.8129 1720.2561
Cis/trans-(S)-(-)-limonene oxide 7470.9619 4666.8324 7928.7206 8970.6211 9465.5034 6861.3552 5686.5450 7030.6010 6838.7468 4738.8676 12277.0013 8068.4066 4495.8812 20534.2114 225.8464 8694.4012 8514.1475 14458.5482 11518.3117 6063.0922 688.0593 6236.7814 7290.2664 7303.2819 8415.5354 1032.6328 594.9904 16562.5801 3932.5200 11724.0631 10573.4468 6830.5097 3067.3036 901.3672 11721.1874 3447.0158 21823.0454 7303.7076 25065.0064 34378.6601 452.8670 15595.0889 27101.6490 7545.3392 7153.8469 6404.0522 1269.8566 7945.0115 52097.9762 4914.5091 4499.7992
Citranaxanthin 14751.4200 15410.8183 6819.4915 8670.8574 18083.2163 8053.8390 19370.6255 15641.7926 13473.3559 13383.6886 13641.7436 16493.9379 12997.8831 16666.9844 17131.7678 16339.3973 18435.0424 15977.3864 13810.4760 15394.8944 13995.7385 14450.8939 20931.3548 17005.6128 7040.4885 9738.7857 15781.6167 25416.5153 14840.5192 16292.9189 9823.8190 23877.3857 5478.3986 9924.8049 16132.6962 14389.8432 14873.7702 20600.2263 4497.9588 6025.2142 15952.3394 15749.0936 17504.6818 15306.9585 6820.2737 17212.0399 12737.6363 6928.0141 14974.0595 9218.5237 20634.1934
CMPentylF 11299.5452 6915.9489 2566.4482 13791.6306 8934.2689 4243.3276 10161.6274 11898.5387 1605.0986 3073.2413 2529.5776 5504.6776 10955.4443 2617.1767 5795.4579 12412.8057 13176.7006 4365.2392 8319.9587 10499.2776 17713.1011 6855.4271 2718.9782 3966.2023 6259.7980 1588.3798 6146.0706 1691.5765 17747.0609 2788.3902 16197.0427 4847.4479 2271.1406 5758.3666 22417.9111 2337.8863 508.4579 5752.4641 1769.6282 19739.6260 2336.5090 4443.7602 4978.2149 31276.0672 5969.4798 8152.8526 4779.5549 4562.5298 11633.5037 2644.6945 11260.9279
Cocamidopropyl betaine 4862.7132 302.9705 6250.6291 5585.9425 142.0774 3845.2070 724.3541 5649.5086 6299.8002 1126.8252 358.3668 5345.6736 5013.6317 6676.4062 168.9095 2560.4118 5102.4259 8989.8029 10327.5401 1630.5086 18740.8602 2329.8792 4018.2390 4796.1115 7283.9551 13468.7399 20857.8947 593.7503 1147.3266 30612.2179 3025.2764 6718.6632 13830.0761 7009.3935 2412.9393 48006.1639 3783.2150 741.8474 4850.2978 775.9231 358.8840 8004.8166 3802.8086 890.8506 2954.0383 5916.2350 3036.8884 1838.3017 9821.3571 6009.9515 3651.6059
Concanamycin A 1573.4225 27038.9545 2564.3252 6797.3388 21153.8390 497.4733 5391.1195 16857.0239 6502.5408 17200.3881 32210.2104 5234.9446 10804.3777 7001.6534 6242.3625 426.5466 4633.4796 19349.0700 20324.0945 8270.5427 19967.9489 19484.3927 4226.8652 26197.0447 38452.5945 1010.7973 12732.6670 9730.6310 1695.6696 7176.1369 495.3087 2585.2597 30745.5940 15517.3260 1770.7706 15233.5647 27707.0277 29514.2664 30747.5028 34651.5327 20249.6624 34773.2607 2984.0480 10735.2813 5066.0905 144.4058 5736.4200 3621.3645 9714.9534 2649.0827 3441.1546
Conivaptan 790.3219 174.9066 799.9988 679.4826 407.5273 807.2209 1152.9104 1020.1684 760.2093 641.6956 687.1800 648.1578 664.6946 828.0903 1058.4149 1450.9219 2214.4908 1631.7524 635.1284 1149.4042 295.7941 1691.9268 1120.5485 838.5729 1968.0804 816.2217 161.9383 416.1904 790.4008 280.1103 741.4535 1248.0613 371.7754 1336.8937 1101.7709 754.8554 193.4668 773.3698 575.2953 739.3073 650.8053 225.1839 186.4892 1378.5849 1232.3968 1072.0339 197.9443 1047.0827 907.9824 864.5474 1166.4723
Convoline 10013.0735 36039.2950 3022.0703 13848.3305 1922.8986 9799.0061 8926.7717 3036.1198 136.2075 24010.7941 6693.0998 17839.7548 7944.9172 13946.1880 3848.7551 8842.1350 9996.4765 4805.1542 44048.8587 8016.9628 88197.8279 10262.2064 10142.3854 10769.0547 30074.1932 2369.9843 7180.9992 130.6627 8509.2401 9530.6694 3193.7232 9956.6865 13294.1732 5893.6303 15744.8335 11750.6170 18309.2419 650.0927 33890.0643 20946.9475 56264.9347 20040.4892 17022.9749 14137.7935 1303.3494 7030.5306 174.4627 8075.7528 55818.1523 15154.3195 14832.4566
Coproporphyrin III 849.6601 3200.7847 409.6540 180.4174 199.4984 279.2339 340.2960 631.5564 2237.4185 2221.4830 1487.6051 461.8005 625.6504 2994.9518 843.6684 661.5431 999.9203 1553.3755 1786.7698 480.8507 2294.4966 749.5839 506.6832 6440.6675 1066.9280 1370.2674 1070.3868 2331.1988 523.6942 2388.6830 603.5668 374.3382 1562.3600 299.0834 862.5433 2107.0513 2369.7665 5020.2490 5132.0777 1881.7541 1589.9615 3012.9778 799.1917 776.9235 688.9509 634.0185 521.7410 1096.9968 2030.4672 103.0295 1580.3860
Corticosterone 21-acetate 7381.4169 13411.8309 180.2877 9277.6539 1399.7201 4371.2813 4104.3285 3021.0624 5120.7488 908.5593 5127.9615 5638.3581 4933.9279 7295.0679 2636.0745 157.6099 11318.2145 8897.3554 10335.3850 5195.9762 13776.3093 5696.6739 4563.2810 2203.2501 8439.5218 423.3352 2948.7359 6809.0027 5589.1621 682.5839 1638.2775 5204.6758 4843.3010 4542.9291 14005.6814 6360.8931 7219.4774 5965.2038 4545.3477 8872.7674 12448.5535 34768.0040 18802.3867 9203.3471 803.7931 5526.9785 6520.7307 3817.2478 22766.4296 15646.9832 3936.0332
Creatine monohydrate 2394.9705 2321.3208 2672.5922 457.9364 2561.0227 1895.9081 2425.8455 3647.8015 2152.5470 2005.8655 2156.3729 1769.5873 2745.0174 1511.9717 2271.2876 2640.8490 2380.2347 2234.0056 4479.8143 2213.4818 2331.4215 2498.9023 3017.3027 3034.8005 1932.9352 3792.1845 1866.9295 7537.5643 4320.6543 1575.9654 2377.8244 2515.6494 2176.5310 2848.2411 1572.3377 2755.6562 1417.4756 1901.3556 2941.1440 2528.8323 3109.5028 2195.0266 1260.8316 1877.5528 2571.3861 2213.4718 1861.8220 2248.5277 2624.3092 5192.3380 1601.1938
Creatinol 533.6266 7690.8315 776.7840 4701.8820 2307.1057 630.5022 1185.8749 4936.7456 1691.3263 7684.1862 3056.3862 388.7114 3317.0367 7600.6868 1554.2771 4453.1820 2994.0727 1619.8358 3904.6760 2476.7469 28263.5981 3884.7100 2066.3934 353.2319 2986.7939 4832.3247 2744.2271 4461.6621 3555.5450 14569.6189 4567.1613 1258.7571 198.6551 3108.8560 1525.4510 750.7243 7124.8197 3329.4899 2262.4205 4457.8110 3262.6257 2784.8702 2443.8270 2333.9466 266.2488 379.3681 1350.9369 2174.3360 184.7883 2256.5125 5157.1941
Cyclandelate 3124.4753 2087.5061 514.4010 1742.4544 2665.4117 988.9680 3142.9211 6377.6012 3783.6566 815.8789 5063.0119 519.0475 1320.8434 2745.0228 3111.1814 1735.7250 1561.6953 873.0995 1607.1671 2984.2950 2959.1796 3133.0542 2252.3923 3249.7090 2873.4100 1044.2441 892.4687 1219.6931 1814.2861 847.1720 7614.2562 1944.4036 5802.6150 2313.3178 2016.2595 1357.9672 3300.8609 4923.5972 1926.7565 3264.7522 1286.6562 4380.3994 36886.7213 4658.8398 4104.0395 3406.3738 1791.4570 2843.6293 1938.2197 372.6963 1539.3345
Cyclobenzaprine 269.7967 4578.8464 1641.8654 679.7056 595.4071 1338.1600 1988.2610 1584.8445 1421.0188 1410.1933 2321.4158 1568.5322 1482.9368 391.6314 3854.6787 1967.9437 280.9023 1480.6458 266.8045 1538.9416 1221.5266 1921.6359 1975.7131 2148.0567 4332.7007 1607.0171 1810.5352 1707.2174 1634.8871 2034.4369 1982.7363 2121.7305 3434.3418 1918.7236 1718.2203 305.2806 253.5872 1909.3754 2291.0388 1699.7787 2090.4860 2635.3923 1964.1489 1698.6282 2004.8392 2055.4669 1838.7761 2069.5045 1199.3393 1228.8724 1903.7894
Cyclohexylamine 1581353.6110 190114.9747 27811.7387 21086.0164 32917.1031 78964.8574 45563.0659 151501.2306 60905.1223 308272.1424 143398.3512 16523.9461 19185.4891 637517.6529 103761.1228 697678.0012 14004.0468 8969.2764 10711.2751 8844.8492 1222143.9470 73920.9040 58915.3696 32534.2779 55217.7934 175884.6911 15976.3335 9099.5537 58642.8864 1464960.3650 143683.2643 45271.6041 329278.9189 95637.9946 207063.1106 46584.1272 10099.2512 14817.3101 633545.4374 22949.0798 926918.3963 507281.9709 31737.7278 13347.8286 83741.5586 109735.1438 28636.1208 32221.8072 18557.9872 40086.9670 167783.4295
(Cyclohexylmethyl)hydrazine 4045.8389 6630.0693 3807.2874 1872.0074 2504.2571 6424.3029 4252.8081 1566.4325 265.8633 996.1125 12045.7202 5083.9043 3674.3112 21813.6916 4521.2897 2771.2851 3737.5363 2734.7084 3673.3947 3425.1651 3145.2433 12841.8316 4112.0666 6992.4751 4335.7854 11152.2972 3989.4015 1778.2143 1629.2356 9607.2164 6124.7543 3835.0139 4139.8790 616.7003 374.8920 5430.3887 22168.5760 661.3261 1115.2230 3309.5953 271.5737 6096.0569 1870.7353 2854.5100 3939.8426 3659.9585 2813.5980 605.4226 975.0461 302.3528 5995.2410
Cyclopassifloic acid C 18095.7130 9768.2001 11324.8022 5136.3127 3683.8275 5040.0687 748.0884 4177.4049 7571.5173 9256.8427 7802.2017 3409.0955 12224.4532 9200.6777 1850.5789 3899.4659 4490.5070 5302.4214 2960.4445 3018.8847 3256.5106 4948.5381 1074.9055 6790.3820 15515.4341 25714.1303 8713.3946 7175.2472 22538.5987 7687.3416 15176.7161 36360.6186 9694.0616 22751.0406 21685.3816 6729.0486 6334.8439 14145.5478 9504.7642 7257.2292 12462.4461 12685.8186 3810.7600 28208.5735 2644.2415 4915.5166 6485.1011 3122.1610 6248.6455 17350.0265 3867.6939
Cyclopentanethiol 632.7914 563.7845 355.8344 692.1636 392.5109 509.4602 538.3866 972.0736 672.7306 310.0462 643.4423 576.6650 611.3537 727.4515 699.3166 686.4276 805.1801 707.9196 689.0839 555.6781 425.2560 747.0382 770.0561 813.1742 1087.7049 745.7971 798.7367 170.4665 620.7158 606.3641 569.0831 408.2664 333.9156 293.0198 697.0414 444.0608 339.3479 663.0096 712.1694 671.0328 515.7774 669.5253 795.9009 648.1689 1067.9090 601.5233 756.6450 227.0617 491.7132 204.1347 566.1805
Cyclotricuspidogenin C 41895.1205 44207.3467 23774.4025 7558.7500 5671.6796 7872.3515 4968.3650 6293.6439 33553.4118 31413.0715 42822.0877 5816.8855 29133.1561 52105.5899 2963.8703 8828.3439 12105.5306 20080.7257 14406.5751 2793.4952 57405.6802 10173.7192 5258.8638 18848.5881 28011.8610 103059.8461 26409.9858 19622.6648 44233.2589 8261.6050 102567.3086 46251.6493 14479.2048 21514.6116 53831.3802 7786.2648 22203.5479 146451.5108 24417.5987 12380.8953 22291.7877 104117.9017 21846.2445 28512.6742 5501.9317 14887.3678 19558.8172 7047.2215 14513.2772 49181.0755 9570.0720
Danofloxacin 1094.6036 988.9207 811.8784 601.5303 479.5925 1004.5650 1003.5089 851.7277 1200.6701 1153.7169 964.4059 429.5827 1000.6303 1558.4530 861.6945 1222.5999 865.4079 1126.5436 2245.8672 949.8849 8678.4769 128.8409 783.2032 1234.0963 1135.9661 1678.7091 863.0100 1159.1548 444.4418 121.2213 1877.0657 1175.4373 1289.8060 1155.1129 1408.8586 1455.4002 1790.2758 472.2382 1797.2870 1020.9705 446.2044 1715.5524 136.4532 1322.4281 760.2651 634.2901 936.2048 741.2332 4777.0143 139.7580 868.5302
d[-Arg-2]KYOTORPHAN 7895.7075 14712.7672 6622.3252 3842.8204 17588.4502 11068.9772 6649.5186 15337.9693 10870.5457 6296.3595 1666.1750 7932.0599 6800.7695 25387.7025 6873.8959 9300.1585 7135.0098 278.1560 7574.0648 7610.8113 19630.7925 12382.8175 4046.6097 56698.9486 4934.4365 2812.5293 3968.8449 14659.0912 13439.2415 24465.9515 38015.1867 9291.6460 27930.7323 8372.1925 6234.6727 2657.5407 6583.5826 19536.6763 6836.8920 5951.7959 18966.6851 9559.1730 1244.3265 2156.2242 4334.7879 30958.9437 19594.9286 14960.4172 14775.0693 8023.6142 5450.3841
Dazomet 5331.1754 4501.8645 5624.6900 4529.7395 6026.4745 5538.4350 6218.1169 7187.8998 5099.2120 2632.5696 4311.4566 3649.1731 6305.3223 3471.4329 6716.5155 5324.8214 6610.3912 6409.5314 5172.2363 7939.3575 5645.6231 6847.3052 6349.1973 5891.0266 9565.9558 4788.2290 5620.1925 5552.4544 3703.9250 966.8499 5493.6619 6593.2647 6942.1373 6733.3938 6130.9273 6102.1169 3206.7661 4276.1653 3364.5816 5035.0241 5998.1580 5251.6141 6712.7101 7094.3125 8144.1694 6446.4258 6750.9405 5976.7802 5618.5454 7710.8303 6813.2255
delta-Hexalactone 47779.2009 58736.5634 78543.5259 56884.3435 64971.7778 62497.3423 64265.6877 50896.6694 54846.0976 51588.0335 45448.5779 64533.4534 55940.5767 45555.4436 71261.7499 47203.7246 66688.5557 60957.4555 48779.1372 53275.5955 52061.0857 52498.0155 68360.5666 41837.9116 53289.8328 36257.4851 55797.2828 38074.3696 33792.6909 48483.0484 54921.3285 43557.0613 48397.4820 61187.4752 47282.5507 54155.4418 39278.2317 42309.9541 53680.8618 59873.6932 44703.1568 56873.4795 58420.6234 58546.7088 77682.4779 51734.8850 43312.5648 45479.1987 54648.3886 53954.9901 67839.9367
delta-Valerolactam 282794.4224 49592.8523 1107730.4610 57445.3062 12585.8058 1199444.9830 784808.4428 34248.2678 499529.3651 49877.5327 74019.4154 329861.2161 11423.6159 233249.8377 10950.5320 1172638.1390 27837.8202 66362.9542 139045.0469 1036509.7450 37770.9006 1308253.5920 39297.6204 50802.1662 109854.6965 58924.2370 148065.2894 47965.3363 62852.5567 78295.9921 1787969.6310 57356.0583 384312.1730 803025.2118 132647.2155 172026.8196 552160.3221 87785.3058 118970.1209 76959.0869 61429.4597 103272.5873 75218.0870 76909.9817 123890.9683 1077612.9330 1123692.9180 1308930.1790 115766.0211 110324.6405 1606557.8070
Deoxycholic acid 722786.0360 977636.5481 597684.3678 362435.3274 336854.6205 3396.8825 13574.7130 858327.7008 395897.6465 785264.5690 795438.6802 47565.3540 810517.8836 1419050.7710 36209.9314 107300.9186 433803.2443 441065.7474 1040729.1910 196849.3911 875253.3343 995133.0656 9905.5456 833372.3567 699001.3997 572677.3408 646668.2503 1239293.8710 405289.9689 487661.3565 453021.0497 317754.5356 883697.5750 198900.0584 162023.2755 402596.7343 1159750.3720 617943.1009 805226.0659 833917.6328 984330.2715 1269313.2290 281594.7278 272894.7828 22091.3822 423230.9163 978073.7188 229869.0344 294202.0364 21424.3433 494933.9860
Deoxycorticosterone acetate 1075.2686 3103.0240 861.9282 1533.2442 784.7842 971.8117 208.7449 1117.5850 635.2713 3613.8436 1783.1479 476.5787 1219.9604 1679.5466 977.2686 653.6012 1052.9281 317.3984 969.0375 986.2778 944.3719 3123.2061 210.2321 1397.9718 1870.4801 4427.6008 2660.1916 1426.6414 962.9187 730.2723 2597.0093 361.5535 4004.3758 708.0380 1088.2498 2294.4981 1953.4117 3448.2299 2843.8850 1304.7967 1173.6094 2420.2169 1304.6789 758.4757 930.4291 737.0372 1733.7272 1330.3158 1507.4738 1116.8214 603.5211
Desmetryn 273.8155 1123.9780 1238.1836 1168.2131 1039.5449 232.2482 693.8725 261.4274 935.4147 1405.9575 536.7675 1090.8162 909.2943 1232.5710 272.8561 62.4002 578.1764 1983.8914 224.1325 86.1367 1151.6038 712.1034 538.2153 1619.8743 980.7408 1028.3690 543.9064 500.6700 321.2132 992.6729 126.3053 1401.8404 1008.5569 742.3445 852.7825 258.3790 75.2434 991.9905 419.0755 2217.2533 576.6871 7893.0414 1138.0883 489.5884 707.6713 391.7772 542.1062 280.9439 879.5842 745.4719 821.4358
Desogestrel 124.0126 2109.7999 393.7484 2066.2752 837.8751 865.5833 143.8320 6834.0076 1264.4220 1311.7513 4777.6281 654.6158 1105.8269 2915.6752 678.4047 2802.2809 1036.3780 1004.6977 1711.2388 483.7046 3092.2556 631.7406 390.7248 728.8303 2927.9489 2035.2702 1981.2457 1438.7759 1428.8375 2415.6459 7160.8552 2664.8382 5944.4518 3456.8716 2939.3414 2122.2821 3992.4810 4419.2596 1439.0628 2927.4674 1994.2026 4597.6198 5283.7847 132.7368 495.5649 4291.7863 1287.7232 803.9513 2522.0860 1686.5412 2016.8044
Desthiobiotin 3385.1105 2708.3059 14750.0331 3663.1074 3083.5477 3905.3993 4226.2506 3922.8402 2681.7443 428.0089 588.5776 3775.0640 2009.4223 4134.1324 348.2836 402.1104 2721.8063 3280.3691 768.2905 2264.7643 4426.3509 750.5898 3534.7126 775.2304 3452.0689 968.9971 2137.1774 3048.3630 2494.9472 1707.7065 4728.2977 4521.2568 21382.2370 2044.4927 2593.1953 2625.5871 2395.7951 1135.0896 3419.3329 2696.8723 2012.5955 2276.3591 9722.1490 3979.2712 3239.6987 1707.5547 2901.2584 2454.1056 468.8061 3747.3608 3141.7050
Deterrol stearate 8031.9823 13119.1269 11667.8586 11828.3262 12454.6867 12253.3650 13699.3045 11588.7079 11621.2795 6402.6640 9931.8208 10890.0802 9842.6332 12128.1474 11214.0877 10331.1881 11297.9998 6588.6605 9578.1767 10847.6494 10237.3613 12662.9255 13356.1905 13914.7310 11954.4787 6256.5489 11634.3954 13578.1710 6540.7962 12538.5577 13415.3605 14877.1401 5749.8819 15622.7624 11690.0961 5742.6505 11520.0803 11223.1663 5433.9911 6159.4096 12147.0937 11381.9661 14454.2563 12728.8718 12234.5780 11195.0615 11453.4792 11213.8972 5349.1936 15102.8726 13983.5216
Deuteroporphyrin IX 106440.9688 17412.4491 4131.9895 223560.7733 117855.0796 3902.7945 123699.3042 99580.8959 4557.8759 4476.4113 10863.3448 206134.7835 184061.5602 254530.4604 123127.6952 11076.5695 3646.9496 100750.0111 414.5221 881.0828 886.0139 206056.6651 71885.4983 107779.9936 128749.6519 157125.3022 180472.9108 163940.6813 113173.5603 75820.4034 13615.2354 141058.7789 10906.8272 98585.1872 63449.7086 134193.4032 224197.7877 154725.4748 355604.4771 4254.3932 87071.0221 1698231.6830 21037.7047 19603.8509 44504.5137 100430.0939 149434.7217 97505.8121 115767.6821 171574.6210 7237.3247
DG(14:1(9Z)/14:1(9Z)/0:0) 9504.4799 11947.2365 12212.2095 9982.5169 11008.1739 11620.2539 9300.4349 10675.3065 12457.1552 11909.6244 9504.1691 9508.3016 8857.5035 9683.6561 10668.7499 9391.9026 9729.5799 12415.1808 9686.1053 8573.2297 11490.4598 10777.8902 12122.3105 11116.2721 12083.9340 9528.9434 12649.8628 12421.9515 11774.6955 13709.4682 10985.7831 11122.0747 12225.6868 11610.8699 11033.6235 8130.6689 10254.7331 13670.4023 12817.4468 12738.7356 12101.7717 13355.3513 11051.8485 12286.7869 12359.2043 11866.5248 11186.7202 11831.5721 9771.1434 12663.8494 11453.1120
D-Gulonic acid gamma-lactone 845.4097 490.4011 553.4671 586.7580 562.4321 472.9297 636.0478 202.6457 580.6993 696.1684 584.9810 627.7586 597.6903 636.1548 602.7352 461.4678 545.8869 662.9556 642.9606 802.5725 568.4891 594.1301 593.9840 268.5964 1191.8409 1453.9495 709.0207 581.9868 662.8343 659.5658 642.4285 1242.7194 774.0811 716.4523 616.7237 1001.7385 652.0608 466.2210 681.5574 662.2900 834.4131 587.8985 808.1871 1025.4796 640.0487 530.9482 263.2469 204.0682 209.3776 282.1393 643.4225
D-Homocysteine 5696.9653 17717.6302 25093.2891 8627.4998 7681.4845 7112.8137 3744.9694 11413.2584 1377.9704 33122.9287 2404.7936 12711.8918 251.4465 8644.2847 2957.9729 7178.9845 2829.9814 5937.9008 4416.4112 111.4328 4368.8430 2296.7955 15833.6756 1077.6908 7463.1460 897.8373 5219.7643 19405.7936 25936.0748 12214.2320 307.5760 22659.7087 2399.2189 8591.9103 12731.3898 18009.4376 6796.4338 2608.7459 2492.9857 2986.7828 19653.5478 9983.6544 2227.2820 9084.0950 6911.7846 2635.6570 2346.2271 4490.4552 1703.4475 5183.7511 1000.5190
Dibutyl phthalate 1423.8251 2289.8525 2459.6445 1791.4036 3142.2822 2624.9706 3150.0149 2368.0011 2537.1037 1793.9045 2371.8061 2855.8071 2604.9095 1871.6910 3079.2877 2767.7990 2733.2287 2788.9960 1923.8119 2779.4767 2374.9602 2561.0981 3126.6638 2906.7036 3165.8106 2108.3997 2401.8467 2589.6748 2475.9037 1897.3012 2904.8225 2949.8020 2346.6145 3199.4486 3513.2286 2393.2813 2954.8748 2498.8688 2549.7783 2268.6111 2554.8816 2719.9760 2587.9931 1160.5621 3058.8587 2635.9063 2279.5722 2940.9988 1843.1247 2944.6831 3131.3102
Dibutyl sulfide 1014.1264 2203.8996 996.8558 469.8821 227.2186 782.5938 1091.8553 217.4183 194.2683 1251.4074 974.2382 188.9695 223.5073 1170.9132 1277.1242 1343.9588 914.4593 1131.3582 323.7690 1037.6912 1262.2150 814.6843 1315.9075 5029.8640 1655.1344 1848.8754 1075.1837 375.3022 2705.7134 2414.4651 1581.7914 5801.7646 222.7611 1577.3014 225.2745 1043.1398 453.9742 246.6041 1676.9849 2836.7808 321.9682 1460.2798 2732.9482 320.2868 1213.3974 1896.4143 1550.3496 1738.6096 259.1037 585.4884 957.4333
Diethyl 2-(formylamino)malonate 2222.9391 2424.6527 1896.4760 2686.1611 1671.8925 2137.1903 2500.5910 507.4850 225.1944 2265.9931 1377.5013 219.2814 575.7263 2530.5203 2368.5394 9397.2323 1921.7500 2179.4566 6374.8392 251.1552 238.2614 525.7156 7512.6517 5219.3712 1667.2109 266.0398 2416.3129 741.1358 2658.4262 528.8554 695.3306 249.7231 8184.8194 5161.7448 862.1149 3680.6699 2025.0063 4936.1102 3647.0020 2160.4306 3090.0284 3885.0455 2189.4040 4707.0733 2485.9681 1166.5873 2773.9019 2399.0384 4029.7308 509.7796 3276.0780
Diethylenetriamine 1937.1949 2034.5260 1850.3030 1517.8318 1743.6133 1775.4279 1728.1886 1416.5375 7315.7722 1675.5160 1442.3674 2065.0097 1875.3402 1523.0227 1635.0317 1802.6892 1954.3171 1732.1588 306.9237 1760.8089 959.0109 1825.2672 1856.8624 277.2568 1709.9999 2341.0851 1610.3645 1511.2196 1772.6492 1554.8112 248.2594 1894.2177 334.2703 1778.9240 1594.6269 310.5420 1296.0451 1445.8268 1649.7517 1450.9952 261.7244 3067.1107 1482.8988 1983.9260 1777.7760 2154.3365 1478.0153 1696.9881 1371.0037 1483.5388 1512.9680
Diethyl hydrogen phosphate 21231.9681 21278.5892 22865.3776 20814.4117 20518.3832 18751.1676 22741.3510 19686.5363 22736.5027 22937.7560 20593.8416 20658.7725 22133.5086 19396.9591 22666.5232 21485.7885 23020.8081 21963.9142 19608.1271 20809.5524 21435.0052 22414.4335 25011.0796 20541.7702 24317.9146 23209.4728 21785.3899 20664.7597 22591.3841 24101.4649 19653.3982 24068.6146 19535.8582 17905.5099 17852.1913 21656.8390 21527.0332 21631.1020 22753.3950 19925.7545 20287.4353 22468.4714 21509.8996 23899.0604 24751.6277 22444.8166 22182.9123 22128.7225 19795.4659 21909.8345 20960.3805
Diethyl trisulfide 29537.3143 24145.7504 34520.3542 25538.5941 33410.6064 29870.6293 44491.6912 31216.0160 23816.9156 16930.6119 25893.2359 34890.5732 9430.9947 8270.9863 33783.9943 36905.4003 11994.4694 32408.2810 22020.1058 11869.9638 21783.7928 20268.3046 24959.0452 32001.2205 35550.4818 23926.5810 27040.3898 11918.8030 32758.3960 17846.8530 9488.7453 29859.5300 31049.7141 32140.3403 29110.6729 31964.9786 18581.2576 27041.7540 33394.7394 31314.6973 31923.2828 34016.1497 43719.4488 42810.8315 34060.5563 32061.6746 27809.4887 25914.1359 26644.0977 30755.0640 20974.4406
Dihydrocapsaicin 734.0596 9143.6510 2961.3099 8683.8095 821.7396 1133.8788 1571.8286 7603.0747 39473.8220 9956.8859 17961.0187 57.0320 53.9888 791.9938 7519.5436 2039.1568 979.9501 46197.0511 19369.7733 2237.7612 108.7497 8462.9848 2518.7419 9654.1638 9442.8174 34321.7142 818.8503 10406.4822 1864.7094 2918.9810 1467.6674 339.4521 9106.9116 3458.7678 6922.6370 40916.0507 5605.2490 2580.4930 375.5722 1470.9374 252.0946 1755.5354 1183.1804 6809.6321 2126.7010 2063.5952 450.5716 2201.7496 7623.4303 150.0015 12012.8349
Dihydro-D-sphingosine 99413.5069 198243.1335 293451.9178 118972.5400 285539.8427 327996.8024 421672.0761 299346.5536 130119.1959 149362.9942 227831.1363 291605.7632 86397.6635 156165.5339 376502.6256 260539.9161 337372.5652 202403.3471 125316.4388 331218.0553 118544.6804 247552.6400 387988.8096 122812.7065 253483.8095 73825.7134 228397.8507 186002.0812 238079.3913 110784.2431 182865.3342 366358.0815 161996.6064 402183.3884 276098.9159 214036.4542 199067.0137 200252.8558 147696.0518 165000.5336 91721.2389 169241.6845 187596.7008 293469.2586 316129.2152 253613.1769 190461.0093 243506.3556 212831.1122 145731.4191 345895.0311
Dihydro Isorescinnamine 2715.3834 4911.4200 1865.0637 1980.3774 3203.6847 1392.5682 3566.5021 2831.5167 1751.0606 2582.4896 3074.6078 1588.9305 2464.2505 2177.3892 3055.2812 4494.7870 3470.4554 3107.9050 2110.2700 2298.5660 1313.3828 1460.7275 1806.0807 4120.5259 2525.7683 3974.8429 2953.0316 4137.1545 2082.2358 3535.9859 3475.6582 2089.7126 5145.3068 5241.2735 2915.7260 2364.8218 2928.4592 2070.5836 1748.8696 1524.9813 2370.7420 1633.8298 3167.4415 3010.7901 3988.3401 4616.8066 2229.6433 2286.6859 4850.1724 5146.8333 2349.8192
Diisodecyl phthalate 40493.4359 15864.7531 23454.2306 28371.2689 29774.6366 61216.4621 11441.2963 8721.0472 5216.2350 59421.1653 27027.3329 8427.4484 45507.0074 29507.0241 23015.7592 3441.1215 6180.4289 11132.6093 16243.7003 25020.4478 3433.2981 44875.6543 660.1906 32063.0103 31920.4495 15628.8086 21696.4504 52279.7373 80074.7667 24601.6274 17266.9836 11212.7563 24733.8980 44185.7380 9692.6014 29783.4784 25013.2775 24705.6588 26755.7300 61202.9828 17832.2727 25136.2605 9340.0670 68894.6450 84096.3664 11656.1173 6328.8828 22562.8666 12094.1255 55298.8224 8844.3141
Diisononyl phthalate 3559.8620 4504.9488 1137.5142 631.1074 3245.9735 6634.6779 570.1612 1791.8977 1966.8648 2014.8753 8529.6103 4671.7077 2686.1714 15075.4387 3182.1328 502.8948 1966.5778 6506.7349 3744.5681 6457.5294 2687.3691 3704.6002 3090.2698 3135.2920 3212.3561 1232.9933 1825.1485 499.7795 4839.3067 103.1351 5454.8494 1825.1874 3639.5841 4489.7188 1639.8882 2960.5337 1923.2657 796.9596 2597.3894 1521.6209 2901.6694 1746.5082 2272.7607 1362.2152 1313.9362 7626.6675 20610.0651 1592.0309 2159.6173 5074.0363 3632.9135
Diisooctyl phthalate 12200.4167 11661.2509 2922.9320 1793.0290 13641.6516 4149.6383 4298.5866 7614.5273 5018.9837 10678.5357 48785.7907 5363.0958 6716.0576 10504.1339 247.2803 80.4628 4052.1331 9393.3864 27475.0481 5134.1172 9484.4191 5262.8977 722.8277 20020.5255 53581.6278 2790.5028 6376.8768 50327.7288 1092.2006 2937.3771 6407.3055 4405.3682 28771.0357 8812.8475 2765.8626 3401.0779 15417.3788 20451.6494 28919.3403 19593.2576 17909.9602 23058.3491 2936.3627 3300.9441 611.3903 4878.5796 20975.9916 5256.2549 1949.8556 1284.6270 2100.1160
Dimepranol 9665.8363 1355.2472 17668.0587 10019.7218 8876.5608 2240.6647 7733.7123 15642.4425 868.1827 2934.7256 7808.4077 1331.4527 6335.4046 7533.6890 1990.7987 818.1235 16145.0983 13415.0815 14431.3506 6686.5573 142.6322 9968.3089 8809.0359 22134.1130 6930.4815 18656.0352 4255.7073 11678.9178 7124.0628 639.5963 2875.9225 12438.1101 328.8933 677.2093 25761.6253 3484.1242 1908.2036 7827.1292 2181.3362 3235.3565 6060.6851 10448.0298 2260.2549 26193.7717 8017.2208 7751.1557 6801.9832 7494.0051 1363.0791 11126.9049 8172.0537
Di-n-octyl phthalate 2165.0764 2828.8290 164.7941 564.8385 3503.0657 1456.5223 1320.1244 2576.5358 1358.7801 1599.5530 12733.5518 1804.3154 929.4899 1296.0180 1610.6521 1476.7129 947.5225 2723.7517 6309.3265 902.7181 1404.0686 1775.2370 1228.6505 1410.8321 11585.1480 1931.7613 1705.6231 3316.9393 432.4406 339.7859 1691.1679 321.7152 8840.3682 2601.6036 295.8676 677.5533 2507.3143 3865.6782 6100.1430 4815.4138 1758.3086 6047.2975 2127.8374 1888.4043 1351.3947 1505.4904 2601.6205 305.0196 554.8416 1764.2771 1338.0814
Dinotefuran 12181.3236 6067.0957 357.9702 3734.9028 2598.1214 2892.2283 1164.4150 3775.3043 3472.0461 5402.3259 916.5609 2464.2097 81.3331 8962.1622 5891.4848 5332.7735 2372.7830 1676.0285 2142.4951 1892.3217 960.0064 3012.8828 1668.0396 3888.0001 325.2669 13293.0948 234.3080 1489.1417 2680.0709 11211.5060 2026.2153 4590.6040 624.5412 802.4316 561.6696 69.6903 16806.2268 12122.3779 5267.0049 75.7411 1700.9135 5827.1113 722.6845 266.0865 2433.4675 1258.6770 2077.9037 1127.8977 2506.9622 3107.7007 1207.5950
Dipropyl pyridine-2_5-dicarboxylate 12483.9292 9850.7904 644.3940 8445.1957 2907.2283 1444.8761 9234.5760 7119.1162 8000.0615 9770.9973 33286.7000 6276.5989 8452.4663 31831.1825 1399.6534 15580.1582 7112.2163 8725.0199 10571.5916 2972.1403 10360.9487 4093.0787 4154.1001 8935.6586 1207.9420 16903.1637 267.6642 1494.7406 3840.6348 7399.0611 2773.3401 2915.9839 8056.6623 7208.0199 22841.2436 8769.2081 10987.5703 8037.0548 5704.3497 287.5075 8677.8854 7150.3684 508.8418 9589.4177 5904.2249 15881.5390 3012.2919 4614.2262 1796.7270 7681.0002 3599.7973
Disulfoton sulfone 4585.3950 4907.5270 4579.0677 2327.7927 4699.7903 5186.1670 5105.5343 4968.7812 4654.6621 5007.6833 4559.1467 3457.3620 6128.7498 4285.7245 4950.8039 6452.1586 4679.4566 4671.4669 4670.4821 5198.9680 4986.1258 4723.5585 4835.8339 4083.1393 5448.1722 5142.2151 5071.1724 5632.8991 5002.9864 6033.7390 5469.8946 5764.5800 5793.3982 5196.5559 6400.8088 5363.9422 5407.9763 5067.9146 4701.8191 7743.2932 4884.3047 4519.7418 4690.3730 4577.2235 5215.2191 4876.6410 5617.1810 4256.3721 4833.2641 4541.7527 4573.1816
Diterpenoid EF-D 673.9607 1378.2335 1290.4371 882.2991 1401.0238 1128.4387 1124.5158 974.1663 777.9910 959.3490 727.8076 1373.5257 992.4202 115.5793 1216.8345 854.2194 864.5215 745.2925 477.8733 1086.4225 912.9973 1192.3927 1050.5015 926.9939 1248.0151 833.6668 1543.2166 1172.0364 1228.2548 1389.0411 1245.1030 1137.6443 961.0122 1578.6956 1295.5648 879.5477 435.4871 1006.4457 1021.2342 1296.5692 754.6215 1112.5964 944.8486 230.8557 1221.4109 1389.5646 1409.2557 1768.5904 896.2164 360.8938 1536.7380
DL-Methionine 39652.1583 10951.8580 216844.5191 10258.6719 47277.4507 305927.0862 268902.4870 71263.7169 169867.4087 119216.4049 42603.1781 512116.2425 6989.2988 3657.8332 54180.5995 229522.7656 11646.6864 24370.1051 36025.9096 6067.9936 6538.8157 117019.7742 423493.6951 20182.9542 20952.4240 78217.9715 26231.3472 47367.0613 4559.2203 9233.4936 209623.6484 88423.5528 10822.4148 15381.9210 40559.7735 37296.3431 84502.0943 23586.7064 26247.4292 19409.7130 13866.5352 8647.3921 16143.0202 44509.7183 142114.8882 65136.8980 28625.3538 87702.9099 40354.6188 97302.0247 211242.2888
DL-O-tyrosine 587118.1908 286987.8400 624802.8719 293327.6135 279855.3124 331694.0000 485020.9734 373265.7244 325857.5382 231858.2467 248463.8423 199856.3530 376795.8280 179470.5666 326602.0733 690733.4783 253104.9331 250137.6033 240608.9675 686537.3846 424673.0920 285201.4406 434852.7613 608452.7093 513985.8712 762979.4740 325704.6443 227039.7989 845300.0303 254673.3104 293928.5661 702652.1226 378736.1699 229740.1956 734129.8319 444136.3742 146469.7392 487897.9413 278021.4864 253692.6748 476511.4103 236754.8688 357933.1120 442330.9740 278350.6460 539484.4097 1247740.9780 1301275.9750 237336.4662 384001.0949 193759.3509
Docosahexaenoic Acid ethyl ester 100958.3920 135099.2216 86172.7764 58471.4505 51909.3797 68650.7740 382737.8619 127142.1746 60231.0349 116063.5505 114211.4728 10870.4057 116007.1134 188688.3326 9590.9647 21085.5651 62651.0309 66393.4132 140418.8792 32184.0774 123985.9105 139271.6072 86272.0902 119746.5212 106792.0705 87675.3737 95942.2697 167997.1320 66382.7224 72219.2267 70757.3445 51293.9851 130112.5073 35435.3748 30293.6164 65283.5659 161310.8116 93891.7860 116725.9546 123019.0425 136127.6267 177163.1754 47286.2156 56384.6184 7243.6929 63653.4395 192968.6740 38402.2888 48137.7352 8203.8308 75737.6227
dodecanoate 12391.6204 66473.4577 49626.4504 23026.0402 12863.8689 5450.1903 10147.2244 23001.6152 13515.3693 85364.5506 5777.1337 5514.8652 7019.0288 2337.6384 4463.6915 67507.7583 3285.6340 7811.8692 4867.8666 4491.7470 4253.2651 51686.9106 3208.6557 2568.7659 14216.6228 10816.6932 7309.9429 34833.0376 10314.3896 41248.0756 31708.6892 3664.1974 861.8688 1461.1732 4897.1978 17733.0851 14911.1451 34372.3324 13455.5430 2826.7736 1452.6282 69074.7657 7764.8001 351.4323 12892.9051 45433.0757 18069.7476 19680.3488 9801.5095 5117.5377 10360.5052
Dolichotheline 46650.9877 18415.8926 30561.0567 66139.5750 13671.1550 50736.5203 43460.0662 3069.5423 9362.0118 13372.8331 387089.6023 117.5022 379.7913 840.0553 566.3117 51306.3375 8701.4931 892.2218 757.8449 24915.6943 506556.2294 70526.4921 40364.0069 19945.9135 9831.1864 72580.8287 361.9920 92.8908 79519.6346 12112.8532 66004.9827 3762.2762 330.0735 61.1125 23884.5302 6015.4593 923298.2466 1272.9299 404886.2948 71350.6988 10985.4590 12680.6138 78282.3672 44468.4078 63.1947 43332.0613 66800.6456 31188.9587 681.4133 1271.8466 5540.3000
D-Ornithine 2137.0446 26501.7405 1177.6326 7346.9256 3878.3811 4057.6048 1901.7333 22394.5801 924.8470 3361.3766 10697.4871 4089.1415 2441.2180 31046.9144 3900.0102 25183.9830 4879.0636 2424.6076 13235.9459 8922.3742 37865.7374 2576.2904 1687.6504 15665.3622 2070.8043 681.3693 16004.2266 217.1759 1520.7201 20615.6412 3490.5869 516.1145 9379.0138 17652.6578 2722.4752 9752.6759 15197.8492 4246.7107 22533.6323 91484.0196 27973.7990 5517.6954 229157.1433 7116.5015 47945.0903 692.0195 1904.1190 14636.0853 109636.9991 30837.0636 17261.1604
Dropropizine 36331.0027 23702.7951 31115.6010 27197.0056 35760.3855 32170.9245 51031.2894 28375.7987 10390.6504 12515.2064 20088.9795 29858.6495 47812.2449 25537.9049 63790.6655 27135.2202 37921.2103 2109.7003 3571.4121 60559.2261 9198.8995 51629.1410 63298.6499 25959.6122 37101.5405 1045.9262 34905.4280 13102.1544 36617.0314 12742.7394 23230.7606 49517.4086 18315.6168 39376.8549 25611.1177 9203.7160 11181.7090 29538.7315 17663.7046 20163.2152 9531.3132 17855.4714 24456.6033 22468.9064 59800.4402 38898.2897 41573.2468 49398.1912 5458.8161 7401.8633 34713.8382
D-urobilinogen 178024.2825 94456.5444 89903.3242 220033.3935 45807.9091 25030.7427 10969.3697 19398.4925 1223624.0810 905.2066 200749.9026 158931.8996 28959.8221 155137.1377 147216.3554 4466.5534 159238.8288 266633.1212 326367.3209 6153.6306 100357.7901 54912.8338 143918.8655 1236389.4570 13260.4083 14032.4508 130.0392 1674969.1800 662171.3276 40576.6889 322.9017 182103.2856 143563.8356 1982.2456 238894.7590 602.1849 138.1769 139704.0121 193.8690 158127.9024 159.6198 197480.3582 147247.3716 162057.4786 9193.9967 346553.7966 285038.6716 670964.2683 285000.7825 168815.8616 222309.6138
(E)-12-oxododec-10-enoate 1829.4493 6917.4342 3062.5526 4339.3384 2371.5677 1086.0807 746.4915 8814.5263 2467.9547 4705.7074 5272.7124 454.9732 1413.0319 7022.1560 1520.9892 4487.1772 2451.8569 328.5303 6095.8906 2130.8002 6473.6278 2451.2820 760.8453 4127.4832 8641.3566 8040.2813 4033.9631 2405.1129 1890.1830 9768.0905 1792.4527 4649.1509 15255.8052 6473.4038 1529.0879 6243.8087 6706.1693 2530.5515 9014.8568 6266.8636 7445.6965 3841.2371 6251.0380 10870.6036 2835.1317 4164.3751 2858.1785 813.8112 5852.4946 4624.3452 993.8092
(E)-Calamene 2553.9871 2072.6520 1664.8531 4023.8339 3271.9854 2987.0677 3317.3644 2486.2175 1143.5435 452.6916 1908.6269 2976.5063 2465.4235 472.2194 2048.5037 2641.3859 3070.5852 2746.3860 2340.6422 3321.6377 2530.5349 2626.5608 3238.6211 2262.4627 1360.6411 2812.8542 253.1943 5139.9678 4783.2534 2778.6149 2766.2901 3047.4926 413.5184 4907.4529 3377.7627 2837.7390 1823.5835 2081.9824 920.7177 1548.1103 1559.7774 1995.5707 2477.6279 2479.9808 6864.5768 2893.3371 809.5030 3085.5266 183.4590 2703.2593 2892.1392
Ecdysone 214.1986 1471.7605 2796.4453 1636.9383 471.8124 796.5254 775.1153 147.8805 2149.7730 3435.4961 974.4756 592.6732 107.1660 485.6433 1169.6928 979.4202 1580.9728 6110.0527 4830.0859 1064.3709 1043.5263 1337.6776 812.4307 1835.9938 1641.5259 4604.3102 946.1853 5367.3209 111.5194 553.6349 499.2918 1083.9207 1520.5586 539.5919 2670.0271 2357.8090 2132.7428 976.3362 1107.9581 245.0245 1000.3527 1208.0464 1117.7440 4759.8927 895.1965 964.9217 131.0339 1252.4675 2557.5724 665.1591 404.6965
Eicosanoyl-EA 5695.5465 5875.0425 7657.1481 3501.7481 7617.3516 10974.8681 12042.5623 6709.9074 5666.4725 4458.9510 5550.8808 7956.8077 3721.7341 2593.8798 8473.3680 6571.1023 9044.1287 7796.0349 2175.5598 7323.7621 3945.1704 5834.2077 12955.1667 5203.3158 8067.2412 7838.8079 4926.1773 6150.0173 6916.8805 3317.0906 5375.6792 11495.2714 7318.7469 10062.1472 7052.5537 5697.9421 4507.6761 4013.7753 4559.2409 4470.6167 4783.8937 3726.5879 6574.1184 4983.9580 7678.8729 7012.8947 5137.7057 8282.1055 5196.6833 6332.2031 9914.4299
Enoxolone 506.0782 1873.5936 1394.6065 98.7955 2079.1902 346.7690 759.6261 1169.8964 959.5280 2026.2798 2120.0316 858.4695 1592.0070 952.2870 102.6540 1053.4460 819.1363 1419.4125 129.9429 599.7990 1087.3414 121.5682 727.4671 471.9068 142.4978 1133.4363 1211.6415 1694.3932 898.5978 1605.8094 258.3965 2335.8152 2653.0188 2834.7664 3076.4089 910.1551 2148.6021 1320.2489 460.2728 693.5606 1497.0890 292.2946 2543.5854 1746.2411 1125.6725 868.9270 187.6130 640.8035 1860.0618 634.1058 98.0485
Enrofloxacin 11047.1635 3798.4727 7848.2779 234.2031 1031.0209 108.1093 9382.9564 385.6746 6354.3777 1706.8522 13563.7667 31430.2794 6241.9822 18710.0166 7275.0241 4844.1351 677.5413 18209.1784 1050.0745 9847.2009 7426.6416 15222.7965 6161.2933 2714.5311 631.5513 214.3892 12352.9958 2503.3286 2687.3354 17276.5126 18822.6396 3724.7963 3823.0635 12047.2980 11278.9156 4187.1386 6266.4793 4186.9744 10454.2025 4061.1364 5310.2387 176495.1311 5756.3953 547.0763 7849.6454 5199.7896 915.5083 7499.1931 6891.2447 1187.4216 11272.7876
ent-15-Oxo-16-kauren-19-oic acid 16139.3925 41533.7487 2172.0015 12691.8345 9841.4221 8410.3648 8402.6516 3398.4087 17736.6907 20674.1795 10132.6601 9828.8210 15971.1781 30677.2532 2067.4529 14113.5382 16291.8942 12254.1912 40055.2802 12050.8962 90291.0918 13779.6333 10128.4176 18745.0357 23997.1708 3359.0670 9815.9610 20106.3018 15913.0253 8460.4059 1660.7849 11061.6853 19379.7910 2280.9793 18159.5713 26831.2098 29885.7367 14860.7844 52856.0790 43729.7236 107152.1753 52314.3853 36832.4024 22040.5251 1501.9190 12125.2183 20790.8181 10498.6757 93467.5927 34644.5506 1150.7706
Epinephrine 1638.7101 1982.1989 960.7617 1060.4579 589.8936 1089.5353 1202.3768 2628.3697 166.7618 1521.1719 1382.5393 1920.6027 1066.0783 1334.8653 635.5770 5046.9752 469.6504 260.1583 1148.9629 983.4503 3008.7491 194.9579 1018.5959 790.1425 1404.2926 473.8086 782.3627 1504.7240 1406.3943 969.8174 1527.6169 212.3963 1579.5092 1150.8639 598.0887 315.4812 2364.1512 1445.3708 1395.3136 701.9751 2279.3798 2835.4350 1822.7309 1221.3138 402.4971 677.7318 1482.0890 797.5171 1145.6800 744.6825 820.8686
Eseridine 5651.1181 2054.8551 6188.2313 5855.9727 11813.2268 5601.1017 36777.0198 4900.0061 1955.9908 1118.2563 184.7894 9901.2052 14700.7091 2135.7794 2553.5873 2196.8381 7264.6344 5792.5923 2961.8516 30192.9323 3390.9209 20683.3210 5394.2192 7885.9399 3593.8146 1978.8928 7614.6764 2659.0322 3157.2737 3755.6785 1672.7580 3392.0779 937.7322 1248.6034 4851.7087 422.1727 1317.8442 4070.0769 1039.8514 1455.5507 628.2404 2680.3048 3935.2472 980.2465 2586.2523 4213.2540 23008.1605 2852.0405 1594.3040 2198.8291 9717.7912
Ethanone_1-[4-[[4^-[2_2_2-trifluoro-1-hydroxy-1-(trifluoromethyl) ethyl][1_1^-biphenyl]-4-yl]methyl]-1-piperazinyl]- 610.8105 517.8890 688.9640 2560.8846 216.5067 590.7234 218.5630 1956.3100 665.3866 479.1133 718.7084 816.8325 709.6037 848.6771 689.3756 220.2520 269.8635 683.7979 239.6413 645.5073 2093.4844 706.5148 681.0805 668.7022 1308.9008 893.6008 516.1986 926.1297 587.6275 249.7528 821.8745 586.3769 1408.0843 947.7203 1132.8433 999.3470 256.8695 255.7160 979.7727 246.3919 2927.0449 860.8096 1917.3854 1071.5720 726.6707 751.7221 304.5879 683.7370 1190.5101 1258.6972 624.8356
Ethisterone 9020.6821 7487.0748 1570.0821 8190.8660 1239.6381 5413.8369 4279.5095 1435.2548 11140.9385 27312.9620 5424.6185 12912.2880 5809.8851 86.0189 1356.2864 208.5644 6288.7327 13446.1415 35415.0716 5727.8659 29617.3200 435.4571 4611.7376 4964.4400 7689.0297 2478.9026 34334.9780 8965.3280 6148.2156 15675.5020 800.9120 6462.1701 12746.6788 2272.9848 8109.9103 17962.1553 34803.9959 876.1704 31661.1196 28485.1580 22967.9839 34059.7793 25594.0136 12837.8297 1099.1839 5770.4776 7337.0330 4726.0500 45506.8661 14811.7037 7255.8539
Ethopabate 8743.3063 38517.1811 9471.9847 18875.1229 12039.8495 9234.3490 12821.7986 12103.4065 6844.6272 7017.4877 224.7916 9247.7004 26850.9442 528.7975 10984.7499 11583.2539 20363.8353 9333.9028 1104.6331 11436.5778 5959.7661 242.1381 10353.5352 1034.3662 2110.3232 6469.8319 4032.6643 1832.1841 1684.9066 6172.5734 291.2018 8673.9987 7881.8704 8769.7043 21773.1668 6102.7782 5928.7827 6505.1695 2301.3890 1893.4145 294.7364 11616.6058 2966.3473 566.8850 14436.4594 8157.9874 325.8266 10564.6137 4745.5225 6278.1033 10563.0065
Ethosuximide 1546.2810 5252.7577 272.4306 3310.6623 1416.5254 2789.8712 132.2119 2423.0295 7788.3545 9916.6787 3798.9850 124.8280 834.8018 1028.3248 8308.9550 2323.1081 152.8875 861.2874 135.8007 842.3512 5147.3240 1272.7469 1150.9049 10790.3002 923.9010 2023.9900 7061.5985 834.8627 3022.9138 184.8416 4075.6678 4468.0634 1145.6840 379.0054 3791.7942 114564.5656 9894.5638 780.7734 8676.6775 7788.8919 312.1116 8673.9894 9796.7483 9632.0965 4860.5719 8154.9363 1042.5277 825.2195 8460.7175 747.0674 5320.5536
Ethyl 3-amino-4_6-dimethylthieno[2_3-b]pyridine-2-carboxylate 1532.4935 2350.7956 6999.1805 5629.8874 3330.8455 7497.1783 5541.9784 2878.9312 2775.2820 2900.7410 2165.4228 1976.5797 3441.4359 1631.8144 3696.1040 6769.2976 2943.8341 401.8453 558.0791 7486.4345 2076.5764 8123.1939 4656.0869 2740.3775 376.5333 2754.0678 369.0838 2626.7105 150.8418 3516.3823 9720.7606 3946.1120 2412.8981 3926.4777 423.0082 946.2073 2435.9530 2883.1270 231.3508 226.4695 1859.7750 121.2027 2014.7694 1456.5622 408.0972 7359.5602 8652.7403 9571.0987 238.9850 213.6047 10935.1271
Ethyl 3-(N-butylacetamido)propionate 7241.8275 547.3311 3713.4142 4350.4485 4493.8715 4657.6097 5146.7567 1599.3683 4195.3430 4451.3716 2959.8561 5640.6683 5795.3984 446.7371 5331.0524 1168.6556 5995.7764 922.3912 7248.4639 6354.1173 15994.3630 4457.6120 5454.1237 5954.4305 23774.9603 1189.3458 2286.3061 494.0573 5705.3182 4348.8889 5820.6553 5883.3978 8174.7914 5646.7205 3191.7783 4751.2986 2789.9274 7989.6909 4502.0174 2808.5859 32956.8758 624.5669 6441.4747 490.8250 4984.2731 5871.4114 5362.0374 5829.2863 2173.8957 5370.5417 4523.9407
Ethyl 4-hydroxy-5_8-dimethoxy-3-quinolinecarboxylate 2204.2007 1800.6661 3465.2713 1735.8122 2468.5799 4055.7043 2578.4712 2402.1874 1141.8959 1576.3672 2408.0683 762.3730 2332.3182 2240.8344 2870.8852 4245.3446 2426.3485 1912.9742 1396.5532 3225.4043 1572.8196 4502.1276 3176.1819 1823.2623 190.5925 2289.1655 2275.9153 2169.2456 3386.2884 1781.7288 5360.3704 2958.6898 764.5594 4637.9286 2276.0136 1718.6794 1048.1218 2324.2853 1403.8404 1365.1118 610.2510 1548.8471 388.0034 172.4912 2978.9287 3560.4046 3512.4887 4961.0179 236.7688 1816.4940 5697.4267
Ethyl cellulose 3262.5793 3582.8765 1193.2769 3392.0103 108.6806 2309.7525 3198.6732 3439.5068 46847.4508 3497.9949 14005.4307 251.0039 3422.6962 401.2135 4079.4496 1897.7928 216.8316 50840.6020 6471.9699 2709.4426 1226.6804 4462.8152 4360.7308 5150.4319 4776.8255 28068.2458 1047.1725 4102.0443 1370.7959 2151.3636 430.9470 1697.0082 522.0266 880.9900 2072.4697 56713.4885 3053.4705 1221.6936 1870.0429 958.7093 713.4470 1025.6457 946.6095 2020.9531 3282.8285 3247.6894 1665.6406 3131.3547 5423.5974 2783.5021 12938.4765
Evocarpine 56.3234 259.0181 929.8122 285.2600 107.6329 12373.8280 61.6057 689.8512 656.0766 925.1196 3219.7942 211.7859 273.0092 2605.9366 590.0341 65.9743 132.5415 725.3976 1298.2829 499.2880 1259.4002 260.8274 518.6002 1752.3676 1060.5888 560.1203 20503.1642 4595.9553 573.1462 2493.0009 514.5783 1949.1986 281.9181 16747.9876 315.8512 2973.0700 654.4490 761.5619 3015.6695 1043.6950 833.5353 850.4922 710.4199 802.0200 261.9359 115.8201 251.8868 115.6122 645.2081 232.4502 651.6656
Famprofazone 1058.9070 17802.8840 688.9960 6419.9436 3445.4144 2430.0044 323.6295 9521.3828 13810.8886 25326.1336 14128.0740 651.3746 3770.1286 8637.0732 368.7329 271.4845 7552.5918 2243.7136 13107.0456 426.0036 12288.2214 185.6783 419.3140 14040.9336 9578.6361 4951.3672 9057.6925 9980.5636 925.1477 9248.5498 99.2480 3542.9948 13100.2671 18510.7595 4528.3002 17725.3890 12812.4009 1660.5426 7243.4871 10174.0811 14611.3116 8050.3491 17381.9784 12695.5390 2989.8541 960.7527 5817.9848 1419.6859 14226.0642 6021.8356 1550.5754
Fasoracetam 3947.2683 7427.2098 5198.9387 4084.0439 5798.6755 5827.4622 5684.7440 5894.6789 5112.1756 3982.0051 2448.2939 7589.8942 5173.8083 2261.8492 6810.1580 5800.5780 2791.5395 6512.9894 1865.5296 6477.1101 2938.7753 5318.4008 7164.3820 2838.0323 5668.5907 4466.7379 441.2548 1395.8186 671.2981 3285.7328 4098.6200 7092.0075 4756.5885 9353.1691 7238.0384 15603.9427 8066.3776 3724.0113 6809.9605 2749.4317 8427.7583 9936.1971 11300.4962 4572.0344 7973.5197 4823.8646 5284.5299 5951.7214 12963.9123 39559.0306 270.6915
Ferulic acid dilactone 1018.6699 179.4533 617.0013 2307.3076 2380.5404 2692.5527 2343.4153 2760.4724 1533.6179 2516.8169 6215.1912 692.4293 833.3471 624.2316 2106.4508 297.6178 1840.2919 133.0681 4004.3690 1825.9069 1104.0348 1971.4843 3406.5826 168.4342 2065.0329 8007.6533 546.2706 2625.4393 10812.3532 2129.0288 2261.1984 2627.0890 3495.8731 2706.5893 152.2251 4486.7324 3308.4171 1572.4268 2949.8439 1881.5055 10520.4655 1636.3267 3183.6306 2060.7876 1955.0213 426.5902 4045.0716 1992.1453 1497.3816 8882.7939 1938.4918
Firefly luciferin 22924.5793 22216.8148 23756.0252 25111.4940 25602.5286 25742.9280 29609.4764 22592.1121 16519.2470 17610.8052 18375.9182 20555.3513 29798.1216 21039.7997 30110.7160 16163.0946 24365.6234 11184.5338 10623.7755 32395.5580 11779.4240 28880.8619 29470.4200 21492.3427 25036.3406 9427.8355 23782.7259 19178.7268 26403.8458 17455.7609 19912.9105 30630.6473 17184.9149 25396.3456 21075.7171 16283.9646 16216.3622 25906.4820 19040.8252 20546.3521 11756.5669 19207.3467 21831.3844 21130.2653 33334.5001 28917.5914 26920.3070 31381.1227 11242.5349 14471.2891 25807.7440
Flubenzimin 229894.4710 1263.8748 36548.1373 9797.1742 20389.0205 73285.6377 66663.9577 257517.5912 34980.5219 2863.0528 32102.4440 109944.9074 4733.6763 60965.7262 33263.8663 1197.2526 17779.6464 8991.7261 23521.8870 15832.8682 2678.4007 24728.6857 34882.4420 1385.1038 7915.7818 190713.7544 16184.5723 26139.4281 121610.8463 4291.3583 5891.2384 69688.2531 57132.5072 39652.9411 24042.6250 25944.6629 57134.8179 2305.6884 10511.4232 4625.8641 48721.2770 808.2749 3958.3787 23815.8678 25810.3460 772.5240 42111.0361 39014.0156 19375.2996 79406.3202 90647.1666
Fluoroacetate 116421.7338 21757.9110 56590.8296 9917.6353 51095.8373 68098.8655 64140.4251 127752.7387 56241.9951 21515.8554 53217.9423 87250.3109 28402.0618 60004.5257 40614.3315 17876.0873 38005.6123 33954.8602 45679.0854 7044.9709 20855.0623 50429.1413 59369.0658 16281.1139 25794.0664 94869.3273 35966.3082 34989.0303 76886.8404 21291.3380 21607.0947 68215.2449 50127.2864 57792.6663 49921.4258 43120.5160 43975.9488 17163.1980 31912.6021 23671.3885 57350.0081 17807.6356 24724.6388 39508.8093 54680.8166 14823.5769 56744.2970 52066.2356 45032.5071 64212.8615 69040.2777
Fluvoxamine Acid 307.4500 910.7177 788.4312 1007.7518 595.5526 499.8393 198.3450 223.9196 680.6053 179.9540 676.4804 199.1228 689.0344 179.4558 368.1680 656.3384 608.0145 722.2425 778.8260 414.4200 1218.6414 803.3234 625.8554 911.1061 847.0455 254.1428 453.1561 861.1930 521.5816 892.3133 1823.5217 1340.2737 807.4200 379.3811 190.1789 750.4731 582.0102 458.0892 716.5985 880.5982 175.6648 3161.9690 1307.0876 734.5137 666.8312 2384.0159 783.5270 613.6342 812.1748 991.6191 817.5051
Formamide 30768.7523 7530.1271 12978.7954 54477.2023 29510.6380 18.8117 1142.8271 3046.2671 10205.1764 21236.3454 200017.8089 350.1807 53.0479 66.7463 962.0740 1114.0080 3582.0795 295.9841 526.7025 197.7577 64459.3903 189525.3796 36.2422 4564.5171 3589.5470 18448.2108 804.7381 76577.2085 15.3677 5567.7823 135.8124 1832.8936 75468.6486 566.0328 16123.6323 4181.7778 959607.4414 623.1097 147326.8306 39369.5727 5167.3723 5156.7967 65423.8869 39350.1312 845.1651 718.9622 582.2674 41.7016 587.3423 208.8118 5880.3219
Fortimicin KK1 5249.0605 4204.1736 894.4328 4840.8418 541.2864 3820.0210 2767.5042 1001.5258 5910.1554 11830.3496 2911.6501 8537.0148 4487.8099 8011.3092 130.4234 4431.3105 3660.0423 7754.5339 19415.9997 2564.6139 15439.8820 4470.7764 3488.9932 2386.2345 3700.1783 1486.7611 20614.7214 6498.2954 4365.3189 9455.0504 5842.1792 4126.4120 6779.9161 1017.1521 4461.8878 8900.6247 17528.2292 155.2256 15398.2516 16931.0447 10947.8937 15737.6964 12443.1864 6811.1369 380.3179 3374.7204 5381.8237 3305.6893 24842.5357 8146.5574 3382.6903
Fosfomycin 798.5429 1962.8725 936.1689 1406.8885 1011.3360 932.8610 940.9472 150.3564 743.1972 1525.6286 1453.0916 875.3633 1084.6165 690.5285 1020.3085 1026.4375 1108.7263 1011.6033 136.8506 1046.9605 959.2355 303.6769 977.6841 638.2072 1745.2259 449.0757 1277.8134 644.3071 821.4317 910.5882 854.6652 1024.8438 293.4812 960.1358 961.3512 1160.0783 258.7780 1311.0551 766.1829 1417.8055 149.3681 834.5292 1081.1442 1080.9518 1023.5175 1009.5030 965.1130 1010.6206 898.7801 1098.7536 901.5294
Fulvestrant 2283.8246 3987.2623 603.0136 4590.8965 1782.7993 1981.7797 2260.8053 5086.5185 24728.6648 3029.1433 12153.9734 2524.6634 2996.3447 2758.5851 3482.3408 2070.0201 2108.5267 26380.1606 7480.1428 1842.7415 2043.5740 3862.8983 3736.4111 4025.1365 4062.6210 17522.9611 395.2859 2809.4750 686.6037 111.9770 107.5970 3214.7758 3798.7111 1528.3504 2343.9381 25854.5213 2246.4221 1237.1723 2028.7664 488.9079 1835.9605 750.2671 717.8080 2013.7068 2682.8807 3052.3619 2277.7965 2772.1974 3342.2997 2415.1601 7568.0985
Fulvine 3606.8045 2098.5082 881.3454 803.3910 1723.3953 652.4981 899.8064 620.0370 845.6948 906.0853 1698.8402 1968.4976 1252.5366 1225.5772 886.5500 776.7638 282.6346 739.3950 487.1000 117.2600 110.2384 515.3375 738.3283 190.7905 860.9524 1398.3849 118.6528 545.4814 335.6064 570.7174 1536.5940 1435.1852 134.7522 763.2175 773.3528 712.5989 1100.5577 1464.9903 2030.7740 1005.9776 3593.9769 855.5605 114.2061 971.8905 126.4044 539.6000 1788.8893 896.8052 971.2843 243.0386 581.6077
Funebrine 1341.4384 3084.6838 38025.5424 2374.4774 1443.1474 26149.0970 7404.2323 4537.5904 1935.9147 5330.9994 4520.7809 20974.1955 1438.4650 4639.6884 6038.9971 1612.0268 2681.8595 5854.3756 1366.5784 5578.9385 5205.0329 6046.1839 10384.2959 3764.5282 3603.6532 5123.7028 1544.2927 628.6567 2350.9543 3981.7724 30820.4005 1300.4355 2565.5777 4686.7182 2099.8362 183.6829 225.2078 4593.4512 7247.7864 3934.0386 4365.2183 1609.6285 161.6142 890.1838 956.3519 3213.6797 5156.0506 1182.9597 6102.6572 5543.6518 4546.2664
Furaltadone 3016.4768 1426.4089 3122.1635 5724.1679 2034.4657 331.2166 3595.1180 2762.2670 830.3970 105.8515 740.4897 13512.1632 545.1491 4830.4877 4065.7944 620.7478 3909.0681 11902.7476 4272.6220 2666.0595 2547.5256 4679.9315 4395.5938 1943.1768 568.0509 349.3089 2153.6080 119.8252 3225.8555 4889.2361 3014.3761 5052.6579 2389.8436 493.1880 1190.4893 2077.9601 3604.0117 6512.4885 18364.6414 1136.2317 135.5432 49100.5027 2051.6374 702.4130 115.8891 23871.8407 2064.9865 706.1004 1244.7014 4080.9217 5063.2116
Furan-2_5-dicarbaldehyde 20740.3185 23237.2428 22137.9994 22722.8077 22048.0027 22112.8447 22294.6496 10726.4675 19200.8469 22555.2759 22118.3079 22956.1691 19113.6242 21088.9408 19873.7683 22035.5876 20242.6419 35905.0077 22404.9674 21810.1844 23386.5991 21910.3479 22352.1739 23083.0989 22470.9125 20642.0325 20729.9558 21009.2123 18464.0292 18850.3798 16681.7984 20985.9703 17620.1075 16181.4822 2606.0033 20001.3296 22071.1342 20490.7119 20040.3510 13281.2794 18388.7604 19787.2541 13622.0625 14178.0044 19085.8466 23423.9309 23042.8918 23541.0707 22375.7784 21922.5954 20032.0547
Furfuryl octanoate 4810.5109 3940.4686 6158.3412 710.4745 6049.5003 3201.0531 3075.7266 4754.4007 776.7339 6840.0273 1261.7440 661.1459 2777.4841 318.5755 3733.8448 4994.2301 2688.1330 4297.4517 1203.6402 1750.9136 596.7081 5410.2511 1097.1342 3503.5169 4336.6203 296.7959 1532.5896 321.1734 10779.7530 4654.1241 3160.9851 2507.3288 3052.5447 3848.7817 3529.6876 25181.5706 1094.7780 3099.2237 1700.1923 2601.3651 1039.9881 5172.3165 2349.8537 4828.7813 287.6048 658.4457 3504.8711 389.4890 18596.2555 3936.8792 7547.4114
Gabapentin 7656.5029 1489.9457 3724.7117 1967.8817 8488.2443 1194.9888 2229.9808 17480.7198 3844.0625 4013.5061 4836.3775 5378.9905 2046.6104 7013.7521 5908.6967 7765.8275 2347.8810 1386.5184 4862.3435 2333.7842 5351.1101 3224.5144 3840.7046 7057.6497 6684.2387 2252.2179 295.6773 1391.1240 4622.4199 3087.9924 33265.2581 1325.0774 1129.5799 4205.5682 3433.2498 886.6766 3762.9153 10168.4570 4107.3215 4768.8243 5839.8058 1460.0356 5676.3310 4886.9606 4372.1813 12707.5054 6045.7382 528.5425 5417.7885 3960.5945 1728.3190
gamma-Glutamyl-beta-aminopropiononitrile 2954.5354 1544.6483 6879.0029 1523.0905 5291.8581 5417.4611 3987.1097 2140.2072 1874.4623 1347.5221 946.1289 2899.3302 2426.0454 4069.3299 1807.4997 2224.2418 1791.0154 2316.9944 2233.8593 884.5821 1607.3621 2403.3275 3078.6199 801.8529 886.7835 159.9645 4164.9650 1348.7417 1023.2040 1750.5474 2196.0135 2047.9156 1812.6640 2192.7064 8465.9270 757.0771 1732.6982 165.2093 135.6296 181.5557 1512.5005 925.8817 140.9279 1217.8331 2387.4930 2570.7119 2553.7381 7123.7763 722.3541 1203.9765 1614.1706
gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide 12696.5394 8444.5896 11516.4931 7869.6423 10525.0426 8575.5026 13784.8949 8796.5348 9127.8689 8530.2700 8883.1408 7635.7692 12716.9393 7213.5919 15489.3339 8077.9198 12392.9176 11192.1307 4392.6580 14568.0451 4888.8738 12228.5557 15694.7301 6774.0593 12497.6298 3698.4269 9348.6957 8936.4986 11310.3544 5716.8349 10057.6212 16628.3853 5240.7766 17952.4401 11843.0234 8935.4056 5032.0619 9503.6786 6079.8083 7755.4504 5476.0546 7340.0500 9841.7308 10199.5297 16144.7760 11361.8814 10779.6117 13229.7662 3543.3822 6564.7830 9825.3057
Ganoderiol I 50926.9707 63583.0828 27887.8561 20636.0664 13303.5253 11207.9422 12463.1596 14692.1089 43007.4457 53800.9002 32368.0432 10084.8571 72644.3662 47280.5800 20649.8430 43302.5347 22926.1651 34061.3072 23681.3506 8695.5183 46482.7010 16322.2566 3394.4896 26148.5565 55459.6744 124650.1839 25857.4159 40930.7668 53495.8946 109682.3480 93736.6796 81911.1640 68454.1151 71920.8393 83127.5975 12443.8402 17132.2113 101241.3367 27286.3722 22023.8576 86394.9254 45879.4797 36988.1201 109163.8562 7575.7837 20254.3867 26282.8877 14559.9641 24792.2529 48665.5240 15270.8595
Ganoderol A 14015.1045 18231.7987 19152.8680 14521.8659 17672.7843 16410.8118 18600.8502 18228.4327 17552.9263 18727.3816 15525.8198 16123.4820 18531.8638 15901.5109 18516.2682 19737.0169 18479.9923 18825.1281 13535.6007 18105.0289 16768.7854 17464.1650 17343.1580 19722.2463 18407.7259 18462.5218 20644.6103 19467.0401 18035.9922 19040.9743 20952.6029 21060.9764 37398.7594 20743.8625 18322.9809 18014.6158 18574.8896 21329.8081 62938.9578 19833.6700 19105.3587 19839.9695 20045.1390 6259.8490 19371.3056 21044.2777 17816.9570 20236.4491 16416.3797 16989.2312 22139.0610
Geissospermine 1397.7037 14461.4792 4258.2283 13672.7510 1823.1831 2992.6173 4015.4620 13793.7776 70650.4250 17881.1822 30912.4824 428.1242 496.4553 1751.4785 8748.8696 4119.1308 1907.2723 74835.5515 35862.2768 4501.2398 526.3759 14545.7578 239.1003 15571.6416 15162.6683 69387.3737 1740.5407 18067.8786 3719.9116 4772.6750 2936.0895 589.3660 15274.9367 5833.2896 11376.4638 65846.9570 9470.0853 4187.3111 844.8541 2392.8389 608.0424 2821.9615 2350.0526 11135.6889 3518.1337 3063.1003 926.3618 262.6709 12903.6937 472.5218 19704.8026
Gentamicin C2 3407.3382 4568.5669 2252.8478 9426.3443 3859.4997 528.6710 2470.0246 3749.4997 1079.1357 4357.5953 4532.5533 4438.7448 3522.7604 5183.7958 788.6633 290.0218 989.3306 147.3365 4880.7985 2908.4008 1147.2126 4113.4072 4190.3676 537.5452 259.0589 4479.7026 5062.2786 5345.4681 1542.8177 5747.0422 4035.6012 1260.3239 3043.2965 13261.0436 3753.1640 2320.1506 35024.5574 916.6467 3718.3388 2655.1990 1262.0774 158.4498 1588.9634 6799.5420 4146.7234 2890.4278 1442.9197 3842.1504 22992.1709 1514.1289 9294.7788
Gingerglycolipid A 529.4125 7298.2599 2830.4153 6463.9396 490.5296 2294.0960 1884.2490 5151.9488 29547.1715 9917.6156 11003.9124 78.9119 4776.6243 444.9391 6764.1741 2868.4404 851.0188 42352.5617 19706.7042 3212.7224 2679.2121 8605.7340 3303.9387 7726.6595 8537.7339 22939.3300 2532.9771 11576.9386 1793.6307 4311.8581 1169.0762 5005.4950 6695.1169 3002.7243 7245.1375 33641.6031 5359.7293 868.8232 102.0604 905.6964 2988.1849 762.5408 483.2443 8419.7869 2989.4042 2522.0073 77.6274 2670.9756 6099.2961 3770.3101 8130.5995
Gingerglycolipid B 763.5796 829.5885 1387.0062 343.7914 708.4659 638.2624 431.0869 2151.6818 12630.4178 5403.9096 3057.6632 484.0121 1466.7881 3305.4038 73.7271 389.0792 558.7143 22487.7432 7189.4653 320.1215 1119.8137 313.7772 676.7287 297.8339 284.7107 58518.5341 732.8577 10033.7341 941.6610 3362.7857 3113.6472 5633.6327 428.4997 2387.0604 2846.9329 24560.6883 3316.4262 946.1186 508.7779 4193.0306 1009.4629 622.7534 1067.9251 2774.1081 382.2464 1130.4290 901.0855 457.2424 6353.0699 1104.7051 3131.5283
Gln-Glu-Ile-Arg 2759.6096 1459.5470 2218.7019 96.9645 719.8159 1722.0419 5015.2677 1232.5837 1880.9998 96.9747 789.6786 439.6252 2742.2307 2692.7030 1832.4035 2784.9102 1272.9658 654.6157 895.0410 113.0369 850.7206 1799.8594 823.3922 14024.2155 2002.9630 2553.5567 2958.9132 2363.2306 360.4993 1751.2098 1084.7201 501.0353 1040.9803 2239.9874 1336.2566 826.3313 813.8258 3840.9170 245.9590 972.1163 623.7753 1742.0439 1959.9319 2228.3353 1953.0928 1265.5556 12214.2792 2044.2930 691.1180 2032.6927 1345.1188
Gln-His-Thr-Leu-Lys 9416.7783 11825.8451 305.3760 8488.0708 8168.8549 6053.4464 6734.7273 8907.9440 7487.3449 10060.0205 9054.3464 7379.9393 8620.0696 9973.7577 6741.5432 6901.2568 139.4520 7851.2655 11847.9233 5482.2281 15390.2685 7718.3747 6161.8234 3411.7403 30144.9909 2031.2689 1934.9305 9207.8283 7641.0058 281.4415 9179.4979 7207.4725 8345.2258 2171.1723 6369.8548 16323.4309 11209.4644 6665.0335 26814.6869 14436.2451 30972.2111 10974.0941 4933.9271 6805.7126 5779.4454 6374.5610 10453.4343 6712.6701 13180.7285 10423.4282 6471.3142
Gln-Phe-Ile-Lys 1419.7115 860.2446 1004.4552 1519.7672 205.7768 989.5228 897.3262 729.8388 494.8157 2086.9950 5426.7055 1266.2054 1161.9426 1645.0342 1086.8354 1195.8817 1122.4522 1285.2403 1888.9356 1021.2947 1932.2966 1487.8606 204.7534 1779.7937 2198.1560 1388.1573 1615.7333 2309.5219 1288.1010 416.7460 1486.1526 1161.3403 2194.1215 219.2453 892.7487 3043.7718 4430.2363 1829.5634 5571.5533 1464.7687 1996.2262 3429.3573 726.0935 1734.2263 842.5907 1125.2437 2103.9322 923.1138 1348.1609 1560.4719 935.8032
Gln-Val-Trp 5020.4784 10814.7028 10060.7439 5319.3708 8244.0144 6982.5211 1958.1567 7578.2640 10453.8877 8150.9773 10345.9437 8901.5399 10718.6395 4887.1285 11861.0963 7149.7070 6732.3723 10353.4850 8286.9678 11334.1147 7903.0372 8386.3973 7771.0719 9136.1033 6856.6946 2703.4735 11978.3437 4565.9816 4761.4486 13181.2828 4598.0376 8178.9940 9961.3277 8724.6731 5573.2630 13408.8414 7318.1224 7883.9284 7779.1061 8978.3992 7450.8643 8205.0724 4187.6710 5072.0952 9103.8911 6197.1492 9146.2996 12396.9354 8861.9661 2672.3451 11052.7386
Glu-Leu 10360.0629 22005.6067 31569.0639 21974.8198 33763.1432 29503.5923 40570.7958 30048.6844 28622.8207 32615.6089 31904.1539 14096.8705 39110.5128 37935.9659 49008.0228 39521.6846 17231.5358 25302.2003 12835.7084 32141.6488 15322.8855 28829.9607 35145.8588 25118.8868 46038.6157 35888.1063 48063.9264 36446.9381 48116.0330 22355.7350 42060.6931 55755.0776 21848.5965 57100.7245 42896.4000 37637.4215 25509.4106 38133.3128 29795.3297 35569.9490 19802.0155 30316.8786 45439.8319 42008.7440 57554.8714 45711.9493 48830.6729 51313.3478 21896.0719 30361.7795 60840.0012
Glu-Pro-Pro-Arg-Asp 29387.2974 93725.0274 64761.3720 65779.9158 84916.3962 50124.5120 70561.1335 66123.8812 365824.5059 104982.2722 81907.8641 72239.4775 53525.7311 184750.6318 53947.3628 26926.9811 3964.9791 118442.5842 111302.3466 11000.0976 96653.0588 87917.3475 80909.3716 110159.9531 700.2354 11941.1315 79365.6367 134924.8450 97199.6023 25020.8878 61477.2629 141326.2192 41287.4628 109231.5418 73163.3416 141185.5921 107937.1454 181365.6003 97553.0858 92947.6781 116401.9219 110603.0599 79539.0839 63593.0059 34294.9768 124384.5003 118513.2714 101507.2367 101072.4367 74600.2354 22877.1928
Glu-Ser-Leu-Met-Lys 16288.0754 13618.3015 13398.0537 15444.2709 6928.0743 3766.7247 13557.5905 18168.0459 54435.8281 18965.1333 14860.5181 13120.5937 5019.5709 19849.1138 16725.7481 17366.7740 13379.0503 22298.0362 18044.6437 14834.7250 13714.0066 1209.8331 13126.4899 70967.9407 23010.8194 25185.1590 12689.9959 27125.3995 50106.5195 4538.9863 14842.1331 650.9475 8342.4186 17752.4654 16552.8752 20661.7592 1059.6458 13320.8396 2281.4011 12476.5597 2534.4450 13560.9011 15105.6101 15472.7743 14809.7963 36894.6278 21773.3797 16797.0586 17060.7150 17300.2869 18909.2090
Glutamylvaline 11718.4267 8793.4896 5601.9801 7150.7291 3303.8270 728.3251 844.6415 4479.1237 4969.1337 5298.3413 4527.5012 1491.4418 2840.3241 5585.5970 4518.3207 15360.9041 120.9082 2043.6474 6137.7152 5960.4342 9126.4440 9071.0205 1784.2826 5428.9636 8473.4377 7370.6894 5587.3415 5412.9228 15000.5020 3444.8476 6431.3448 13337.9194 6052.4046 2344.8881 3024.6125 8487.8462 1883.3100 7059.9286 8265.5324 5372.6118 5719.0302 4964.4161 6409.6861 3892.9716 2053.3374 6673.2276 6669.3779 4874.4302 4665.6428 3175.2479 2269.1043
(Glycerophosphate)n 812.5871 845.2409 647.6826 373.1314 608.7711 554.2488 578.1046 238.1265 796.1418 827.7336 218.8546 706.5026 599.2024 338.1867 603.2843 614.4779 652.9508 338.1663 2274.7515 585.4455 2619.0908 638.0155 556.8416 1387.0844 844.1840 911.9550 369.4751 340.6693 689.2818 2106.0147 855.8183 763.2720 1562.2725 422.0560 218.1591 915.0679 1843.2938 818.3053 1314.3767 171.8651 2277.8737 1178.3696 1098.4063 1132.2495 650.8072 810.1330 397.2303 589.9506 2065.8516 2091.7842 626.8421
Gly-His-Phe 26906.9198 3133.8261 12193.0536 20314.9449 1583.8019 17305.8385 21335.6968 27802.9147 1993.7068 1298.7473 12845.8624 60275.7328 15875.0246 37187.3282 22796.0792 2911.7191 22856.9650 16677.3189 30671.1036 23183.5872 5546.9125 15252.8951 21749.4360 2208.7704 17169.0327 20793.9378 15085.8397 2999.2838 2378.0404 25697.6917 23510.6716 4664.4474 2802.4116 23729.3994 18509.4015 4037.1096 8484.7422 1860.2694 24552.5216 798.6693 6784.5806 329456.4566 2573.0951 6288.5507 23946.4355 19151.2681 15226.8074 20227.3581 9942.0489 27303.2036 257.8026
Gly-Leu-Arg-Val-Phe 3723.5593 4525.0401 6752.1596 2136.6352 3464.0707 3411.9787 3593.5387 23870.5535 105115.0436 22499.2931 34859.2303 2347.1489 3944.9204 57737.8901 3154.7327 6872.4144 4010.8734 143082.8337 36261.9053 2881.0849 8898.8790 2109.2231 3666.6549 2577.6017 2111.0673 342032.5065 8912.7015 68681.3538 7241.7538 77649.3791 55981.8393 117424.6131 5253.6976 15443.0873 20377.5852 199333.9560 21487.3393 6009.8043 3085.8435 88041.5224 7036.1407 3837.7188 6449.3228 13337.6407 3434.5513 5536.9667 4923.9641 3246.3571 41867.4172 16136.3304 28467.9658
Gly-Leu-Asp-Val-Trp 9161.3736 24228.9580 20135.7065 40611.7871 18315.8393 44090.8551 5216.9002 19218.0304 316306.2957 1248.8939 37276.5834 144.1396 12716.0812 127601.1003 21636.6584 5215.5600 21445.3017 51141.8169 1483.0169 741.5141 29390.5106 52464.2664 3477.6383 284673.6258 4177.3884 65109.6331 1905.9664 105165.3610 165176.4417 23620.7259 7833.5177 8643.7436 57879.9107 48056.9065 1004.3198 12049.8975 531.7937 78484.4196 10061.9003 987.0364 1373.2438 39283.7766 31592.4064 43811.7085 3272.4919 40082.0852 207488.9119 58010.5492 190.5643 31589.7116 2650.2709
Gly-Lys 7529.3737 7684.0245 8659.8333 5868.1320 26163.0548 957.6664 10792.4031 8302.8837 70560.0170 37150.7551 271834.1506 894.1108 61022.6077 1269.9702 19553.8816 27311.4098 5254.2791 343.3502 89998.1180 579.1644 23753.0602 1257172.6840 5490.8665 27507.7082 31311.3024 153953.0152 4096.9235 851.7802 22187.8100 21918.9001 3062.4296 14807.7456 8973.5016 36165.0903 91671.1976 10660.5966 861592.0250 3481.3942 110561.4148 3682.8178 3238.7643 8748.6182 643.7727 412.0780 20179.4627 139747.8331 20246.4467 16631.6319 6095.2001 1557.2319 43527.4250
Gly-Lys-Val 116110.6909 91143.3358 290408.2919 193565.3957 106966.8917 109619.5345 294851.4836 135649.0059 106344.9050 103832.6039 111672.2421 121068.3943 134826.5428 71485.9876 81665.4873 142138.6177 55357.7367 185253.6333 114796.9541 141982.2663 129214.8698 121412.8525 129978.5943 109930.9623 73166.5270 169500.1071 129006.8049 179198.7592 127844.1213 102224.4489 420862.9497 122241.6777 66061.7210 158178.7733 121257.5421 152204.5035 105729.8897 106406.7933 228186.9404 137322.7926 125649.2738 53902.4654 141063.3003 119015.2529 186530.0714 63751.2289 118710.3594 112002.4280 129297.0223 139441.0603 118046.4989
Gly-Pro-Val 934.1549 1668.5319 554.0642 864.5760 617.7754 826.2728 716.6366 928.7169 1167.5759 782.5547 114.5019 638.1688 774.3163 917.3195 633.7170 1406.5351 667.4156 757.4142 842.7015 241.8279 622.3527 387.1909 107.8206 1528.9485 813.8510 829.8554 309.9292 426.2305 4721.3178 105.1574 1337.6624 1092.9484 913.1521 955.7480 118.2046 1544.5740 757.3833 1292.9689 358.4927 237.6988 250.5902 245.3832 800.3660 880.7720 657.4659 1721.2584 1096.4498 829.8084 727.9000 930.7499 105.0135
Gly-Trp-Arg 21738.3973 2120.0349 62530.3434 19189.8140 52929.9468 18451.9141 16243.4610 2924.7814 39568.2046 14487.6039 4255.4365 1861.2830 11749.2452 159017.5317 2272.9370 1745.3878 7094.3570 15465.9504 17509.0326 22991.4762 20650.3343 1845.9565 20235.3685 71571.4535 6181.6225 600.9771 6428.5058 68946.0802 11183.5917 45199.8063 4202.8668 15368.8662 17833.8548 12478.3807 16255.1888 1789.4826 10851.2765 5034.2768 6084.5094 1172.5757 17996.6409 18340.5931 15551.7028 16124.5935 4319.5961 91143.9134 35875.3064 47400.8302 1138.1066 6757.4842 333.9775
Glyuranolide 134.0902 2140.7768 931.6055 599.4832 1055.2744 736.8219 765.5980 908.8635 2468.1218 2116.6305 1015.0736 949.9650 988.1559 1698.9226 566.2216 238.4469 701.1579 1200.7813 2066.7111 969.4387 1804.4179 1104.8174 866.7520 5691.9629 2561.4268 123.0326 795.9905 2012.6306 298.0091 1303.6267 1031.7480 377.1536 821.0579 485.2663 862.1763 2090.2291 1878.5777 147.3229 431.4815 1224.3094 633.1150 145.3133 1939.1090 236.2029 977.2785 522.4234 1334.3581 875.8486 639.7119 1462.2494 138.6246
Gossypetin 8-glucuronide 3-sulfate 1880.0053 2175.5738 2364.9493 2422.0683 2511.3980 2272.4921 2931.2992 2374.9909 1919.0929 2150.3097 2204.2814 1920.8006 1899.8764 2027.2864 2271.1098 2543.0258 2020.9310 2279.7729 1673.0962 2045.3693 2272.1173 2236.2290 2629.5942 2419.1267 2877.1086 2392.9480 2415.7774 2707.9359 2590.7873 2627.6413 2912.7621 3010.1486 3128.9920 2912.3593 2525.1178 2378.7922 2457.7138 3115.5981 2721.7789 2728.0387 2205.8563 2491.1806 2095.5384 2921.6162 2167.8948 2593.6950 2636.3302 2650.2188 2585.5887 2407.1285 2801.2513
Goyaglycoside g 956.8872 799.3961 1422.1664 353.1219 873.8297 426.5006 371.7365 2238.8156 5454.4023 5145.8419 1453.0952 446.7072 8102.6719 2184.6097 882.1825 108.3091 703.3702 12646.6748 6430.0773 122.0433 1121.3205 530.3673 664.1487 645.8797 964.5516 39064.0048 534.2338 9131.5296 660.7702 1042.1933 1698.2461 1238.5497 281.6772 1767.0280 2271.4672 10323.9493 2614.3434 862.5370 579.3961 1304.3526 1264.9500 108.4877 1530.2577 3493.3896 547.1165 739.5176 756.0123 442.1068 5417.9937 1079.7095 1125.3313
Guaiol acetate 4152.2989 3829.0463 3279.7742 488.1252 2459.7108 3585.7714 3407.1028 911.7880 3647.6401 7383.1259 14221.8652 3807.6545 3149.2497 15799.6339 2672.0669 2577.8730 1089.4289 241.4695 5837.0407 3020.8039 4839.5120 3928.9732 3071.0031 1739.1660 1691.7981 4881.7664 712.9058 6542.3586 4083.4640 4619.1071 4577.0006 1640.6111 1468.7530 747.3859 7830.9650 3929.7861 8812.9880 2652.5312 3297.9041 4565.0017 2909.1606 9188.2190 4804.3582 4268.4432 2479.6030 3114.1438 5081.6204 3299.8464 2610.4738 7925.0175 307.9925
Guanfacine 1282.4683 1974.3949 2479.9376 1091.5814 2434.3237 1977.0226 3130.0281 2401.3406 2547.4739 394.9647 1527.4719 1181.0652 2029.8382 468.4306 3180.0506 2178.4699 747.1003 2002.0120 1823.6237 2887.6382 1173.7184 1361.4244 1708.5701 732.3878 4018.1074 2283.0608 2351.8700 881.9877 1773.4131 1655.4632 868.0987 2568.8628 2737.7218 3193.6371 3214.3434 2224.2390 1034.4126 1279.6160 1163.0619 2322.1272 2606.3394 2358.9004 2693.0891 3631.6839 2928.9615 2458.3873 3134.6942 2477.6785 1351.0122 3312.3743 2116.3336
Guanidinosuccinic acid 2038.3909 2529.4249 13711.9778 133.6419 5638.3695 16594.8573 9397.0508 4548.4277 3994.8476 2594.3112 2933.0441 3496.2824 5634.6905 1703.8428 7524.1930 12080.2054 5157.0990 269.6382 881.1596 12210.3772 2512.3825 13664.6473 9399.9216 3665.4909 417.5907 4244.7934 877.7517 266.1268 7255.0799 105.6785 17528.5779 7574.0993 4132.2073 6271.6948 965.8794 1306.5100 5173.3550 555.8454 621.5344 135.5976 2377.5419 225.4410 135.6419 188.4622 8478.4789 11143.5774 12979.4527 14620.3117 207.1955 240.4546 14873.5449
Guanine 28653.4797 325.2649 4786.9162 7711.8145 1127.8319 109.1437 346.8690 90616.9249 856.2058 207.0204 13075.0840 288.9441 3593.9910 16878.5122 474.8531 3332.5047 7290.0947 4086.0329 19348.2964 275.2936 590.4419 109.0083 146.6542 29978.0592 7341.2347 42412.8514 4889.9713 37440.9330 62222.5269 6826.0223 375.4717 28438.8971 18620.7771 88039.3819 20652.5263 22036.2174 6239.1512 4920.6552 16931.6991 7870.7993 44177.8471 1221.0129 16665.6696 26951.4705 53.9523 6399.6545 33629.7340 10372.1887 10896.0290 45715.3647 86.0862
Harmaline 338.0968 2590.4625 4671.7788 2520.7193 611.1494 3443.3410 348.5824 2280.0081 2483.0996 4170.1334 2258.3185 2666.9258 2205.0677 2934.3022 331.3000 2485.5650 1960.9942 1916.3392 2451.4209 2491.4827 2822.7299 2306.3118 3419.5971 2728.8284 2725.3630 3102.5906 1380.1492 2742.3122 2945.9419 702.1585 5865.8811 3967.1975 2751.8298 2855.1185 4557.7768 3420.6922 1530.4486 403.3180 6344.6645 335.3309 3509.0308 3618.0499 2427.1618 2309.1086 709.2953 3299.0745 2460.2323 3380.0904 2977.3885 2961.4324 3509.7811
HC Toxin 10014.5814 9061.4617 15443.6881 11445.0868 9404.2741 10461.4150 17855.7809 29486.0092 23896.0280 8767.7119 18791.2419 8819.2068 9172.9087 81524.9776 11340.6068 24648.9930 9447.8484 58919.3919 16647.9624 14020.6110 13854.8691 8102.0959 10911.0085 11710.7853 8564.1327 129578.9378 22917.1438 38186.4845 13389.2333 196040.0190 244717.3872 114557.7525 16376.1278 19508.8843 29326.4867 74752.5605 26011.9594 10302.4560 12276.5495 152599.0496 17435.6000 7047.0300 10785.3222 11768.2596 23481.5600 6664.7877 11723.1275 10652.6662 24718.2175 32993.4734 15749.0317
Heptadecanoyl carnitine 870.8825 4316.7494 5416.3997 10499.4537 3726.4070 3280.8170 7297.8505 3384.2124 179.8064 7174.3371 417.9815 6632.1000 3287.0457 10960.4827 180.4755 7175.4894 3267.2902 4374.5717 547.4676 4966.4785 794.8190 49400.7956 6517.6651 3702.9273 2538.9377 1071.5606 2880.8485 525.4933 2689.8258 886.8512 5207.9033 2773.5115 4377.8860 1090.9791 375.9926 3578.7355 4956.4596 915.5312 4393.0167 2131.1374 3651.1364 154.9090 280.8450 181.2516 629.6991 652.8157 7770.7576 609.0135 3746.4275 336.7237 4343.6847
Heptadecasphinganine 1875.3481 3951.5338 3726.6822 8931.8606 1935.7844 2505.7300 1564.7096 2252.5390 8717.1372 5793.3827 1936.0922 1012.6908 8608.1566 6679.9614 3389.5717 609.3192 1709.2694 1308.0755 6295.1681 877.3988 1541.1883 2326.2678 2899.6170 4564.4324 2588.4756 9017.9727 980.4766 8349.8544 10266.7329 2512.6742 1671.3655 7128.2810 1630.9425 33881.2070 2953.2827 24446.1982 15729.7181 4415.7339 1713.7969 415.0899 10492.3371 5560.9040 700.6784 3909.6473 527.5559 1341.4688 1201.1155 1257.4802 2433.3363 9367.4749 2813.9926
Heptaethylene glycol 10413.6959 9804.9684 22510.4787 15621.8321 9093.5113 10279.9501 21446.4120 10493.7581 9367.4989 10402.2117 9573.1441 10991.4072 9421.3035 6945.6016 6328.6301 11440.1824 5364.0340 16486.8570 11495.3185 11412.0787 12757.8224 11199.4345 10448.5584 10137.7895 6445.8268 14616.9623 11785.4351 15589.3465 10625.7737 10085.0018 30525.5003 9369.3532 6371.7468 11177.5367 10352.4297 11996.4020 10775.9832 12077.0076 20665.7805 11238.3589 11328.7957 6488.3501 12529.6475 9222.9792 13584.9972 5953.6726 10058.4415 9104.6643 12275.3406 10903.9706 9697.2162
Heptaminol 1433.3734 134592.1547 3599.3427 596.2413 2011.2310 2476.4914 2655.1408 2560.3538 17656.0196 2086.1428 732.9513 2892.8423 1036.8422 21543.3083 1252.0715 1397.3216 874.9583 19880.6411 105957.0570 5957.5366 13712.2874 11647.7370 26018.8070 2321.9558 20600.4182 3759.5030 5038.0453 17625.5454 12984.8922 29117.9203 16186.3567 1216.2916 13961.3718 7209.2645 7095.0128 36970.8872 80.5010 4240.9492 140235.2310 14382.8321 17522.8846 8719.7812 506.2113 3235.6432 1958.1649 76578.7842 198.7440 950.5840 68003.1957 14908.4203 81.2603
Heptane-1-thiol 4022.9036 7059.1244 5725.2342 5383.4840 4596.5903 7908.5664 2215.7612 2684.8254 4579.9361 13859.7029 12849.4876 428.0637 3786.6815 7087.5180 3005.6319 410.4437 3176.6294 1770.9449 3076.6988 3320.7962 3504.0269 3668.6825 1123.6333 2086.6258 4039.5380 5267.2681 5935.9780 5645.5175 9987.2185 10788.2732 4890.7994 1763.3125 10345.4339 4617.9129 2602.5026 5035.1703 19747.4868 2823.7596 5865.8157 2515.3938 2469.4516 697.3710 7786.9069 3054.5969 3468.6197 4074.5659 7006.0524 1467.4705 5447.2789 4353.3577 548.6136
Heptyl 4-hydroxybenzoate 48348.4868 36818.2577 40852.1076 37875.4880 45186.3049 43505.7878 60262.7800 40479.5140 26188.7898 21387.7301 28967.3615 41165.5552 56123.0362 35909.7680 74951.5210 39919.9803 47717.3161 10706.2752 10601.8900 72737.0776 20629.0383 59459.2318 79418.9985 40626.6097 49153.9995 6594.5537 44172.4913 22536.6110 46540.8831 23272.6647 35368.7007 60473.2355 30433.9037 51556.3886 37122.2908 22900.9511 21346.1237 39827.7854 30029.2828 35217.6772 22945.4371 32426.8149 36252.5643 33659.1886 74644.5870 47504.8808 49488.0241 56395.2127 13850.9289 22826.6052 48774.6905
Hexaethylene glycol 229599.2343 161570.2542 567101.3762 353721.5751 187475.8023 187479.3189 571381.8272 212042.4309 182467.2372 191322.3080 186685.6145 229359.4717 249171.3217 70878.9950 102767.1725 197230.7510 84082.2631 248180.7258 218382.5568 259947.1163 234876.4300 273378.1613 205736.2748 146504.3326 101748.8364 218819.3624 238307.8578 257979.7358 206290.8631 67915.1843 626608.6249 93398.5134 83686.6607 253006.3332 173839.7672 232999.3132 177193.5215 229269.1180 480215.6776 112776.0357 213316.1095 81230.6076 289437.0445 201861.7215 283712.3688 90180.6519 190606.1360 189950.4925 191183.0723 218759.4217 197874.9910
Hexamethylene bisacetamide 806.5866 17609.0598 600.6302 9080.6133 2237.9157 1717.1098 2306.4666 5211.2253 20366.8773 23605.5092 53852.1538 5877.7831 1642.4272 6137.5404 1902.9814 898.2020 607.0403 7480.0311 12582.1795 5702.7518 10190.5924 22237.9281 96.0208 6023.6136 92.9834 13899.0619 915.1750 34364.6518 4017.9243 434.0886 9291.3983 937.8022 4059.4471 54250.2966 32613.7768 7884.6182 74590.2714 9852.9416 14861.7291 9002.8079 825.1208 13503.8875 3637.0894 2091.1602 6592.5609 1772.7415 6235.2309 4138.5150 24371.8548 11173.7332 6320.7139
Hexestrol 2711.8830 3198.8351 156.7161 1996.5712 604.4663 1840.6997 1738.4192 1717.2696 2624.3081 4319.3549 3328.8959 2056.1379 1957.9485 2514.7311 1453.5668 2789.8802 1656.6516 445.6894 163.8333 144.1180 4550.9537 2673.0130 1458.5931 5106.5593 4106.9338 10545.3644 1899.2767 4382.9864 5511.0349 285.2702 3411.4279 1935.7561 3653.9327 1542.4149 892.7687 2416.9801 2494.5151 2921.2485 2722.2420 2859.8467 995.7656 1134.0963 1329.2255 985.5828 1520.1885 590.8847 5577.0047 2747.5653 134.8192 730.3646 1416.4962
His-Arg-Lys-Glu 2077.7584 2473.1168 3178.2543 1409.4587 2011.4832 2080.2072 2452.6343 12460.6667 41137.6335 6477.8284 13830.5601 1395.4451 2008.4655 34545.5921 2034.0643 4938.7178 2321.0136 61202.3454 12292.8710 1916.3324 4288.1819 1306.8973 2207.3831 1633.9746 1383.1640 146512.9479 5634.5294 26645.6994 3904.3686 72303.7454 43001.8989 71284.5452 3969.7933 7601.2476 10899.0773 96437.5936 11815.6257 3317.0895 2013.0184 66553.1431 4442.4643 2315.4299 3504.3544 5258.4586 2497.8077 2657.4731 2653.2671 2183.8156 16350.9763 12354.9653 12523.6252
His-Arg-Val 569.2041 4146.7808 306.9063 105.2891 9332.9895 2469.8743 2646.3993 1234.8906 1809.8132 1303.0335 20551.7041 2873.6748 2507.7173 3772.2285 4807.9344 3768.0887 376.6577 4256.3381 9907.6344 1021.9262 2411.8194 727.8218 3154.8317 14480.7495 41971.5197 3516.1917 419.8627 8462.2885 1123.5148 1401.4159 4090.1731 4181.8724 14444.5530 11148.9647 612.7686 2326.0150 1752.6500 5397.4664 12378.6408 5443.0947 3558.8605 5775.6930 1080.5997 1398.4730 5111.6032 789.6015 3590.3691 1304.2618 1073.8922 3123.0965 3673.6680
His-Glu-Gln-Lys 565.9569 689.6289 754.3680 505.4052 585.3055 608.8636 657.6971 2871.0546 5256.0661 1027.5712 2956.6433 204.5925 446.5565 9891.7966 562.9171 2160.6724 643.3145 7504.0012 1908.7150 477.5982 1178.4266 234.1342 560.0819 539.5094 434.8355 24764.3518 2008.7302 4971.7159 953.5440 20868.3787 12873.6527 12904.0408 1415.9185 1364.5675 2210.8392 14321.2031 3131.5810 850.8762 613.4104 15831.5633 1379.9011 635.8084 740.7961 1000.7565 797.0067 460.8829 690.9917 598.8039 3005.1519 3219.1774 2311.3895
His-Gly 5707.6535 14719.7980 2307.3004 5638.0789 182.4489 3066.3488 3516.8897 3236.3553 1921.8430 2338.5712 144.7463 4455.9594 4071.0698 5549.2662 3382.3486 4510.5474 1625.4563 9956.2322 7597.8323 4129.8699 895.6445 4274.8752 3706.0163 6307.1942 6094.9753 1099.8932 3248.2912 5675.2108 14998.0346 13252.5840 5706.0857 5161.7265 8546.4554 5470.5419 514.2645 12043.3717 1488.1903 9630.7325 14677.6603 5023.8318 8756.0794 7634.5234 1724.8515 11009.0203 4103.5739 1140.5798 4608.0647 157.8589 18526.4456 6339.9162 1604.0238
His-Ile-Phe 21452.8152 50842.6871 29859.1762 34982.7959 33297.3153 38122.9457 25118.7380 44643.9699 30685.9333 42047.7891 31282.9752 38386.7190 18767.6072 21957.8767 29836.7476 30258.0313 43426.5217 54586.2231 22671.7008 69236.0068 33290.5272 49735.8290 41412.4299 28715.9909 39815.5779 28124.7425 31544.2220 35054.2567 27150.6786 30329.5561 21061.3381 49450.0670 27715.1983 56454.3568 31058.9605 27715.4095 24810.3062 29384.2807 26389.5878 24707.4876 23137.9889 42741.7920 36753.1471 40855.0773 33691.0705 42197.9854 84632.6308 41916.0705 32980.2855 29064.1747 44633.6996
His-Lys-Gln-Lys 170.8582 4973.4713 871.2716 6503.3122 96.8937 2351.8849 2613.0557 8968.9322 54149.3575 3597.7711 22732.9811 2384.0944 618.5750 3817.9619 5648.2461 2650.8111 136.4731 33490.4166 9083.2208 3592.1759 80.9465 7016.0213 3015.1114 6545.9448 6541.8224 36483.7854 1522.1651 3534.4890 1168.0774 557.6706 1017.9312 440.4102 5612.7299 1964.6472 2475.7269 58590.7205 3887.0589 2913.8401 313.6793 1152.6908 3429.8780 1306.2870 1550.1726 2434.4600 3059.4422 2081.5913 3754.6072 3857.8143 5453.7578 356.9651 13414.9587
His-Met-Lys 12059.9078 20554.5560 5556.8695 68368.1722 17796.5269 22601.7472 20443.3855 15028.2625 19645.0235 26414.5188 18600.8122 21027.2396 11529.9447 8229.7352 19490.5157 18415.0820 20281.8931 17186.8186 50727.1790 22344.0707 13768.1413 19774.3828 24236.5529 12111.1166 12259.6654 9740.3099 20730.1338 5594.5017 18958.4698 12548.3353 17739.8053 65201.5876 12383.5337 26519.7140 6022.3780 20084.4654 12023.7105 16620.2929 9207.8556 11623.6069 6947.6946 16739.1147 26769.4313 15154.3075 29342.1135 7133.9695 4757.5182 18065.2934 24630.4198 20226.4472 18254.1581
His-Phe-Met 1015607.5630 344123.5696 731387.9503 106943.4912 215543.0963 77344.3808 81764.4119 694409.6628 583188.5707 639434.4520 238566.8226 53392.6965 50316.8251 33318.6920 55913.4048 420376.4439 58086.7396 199758.9128 298928.1449 93603.1255 72215.2791 608484.5082 610372.1424 722753.6494 760269.3987 507656.6445 289952.3314 44697.2666 1133404.5440 120025.1639 132881.1271 392773.3069 267329.3250 233656.7057 234862.1501 320781.3724 85140.7086 431717.5630 258479.6744 220717.8283 183254.0834 267600.0926 197939.4558 285198.1830 81121.3020 200478.7564 436812.2546 590999.3696 237335.3162 587233.0812 243805.2552
Histamine 30160.9510 4150.2430 21306.3682 19052.4602 19112.1752 25644.2699 238.3553 725.7644 8320.0692 13835.6134 81190.6970 26477.9914 16509.5533 60759.7690 109.3389 416.2376 2658.7421 29253.5334 28718.9817 13736.4521 31931.6422 103671.6259 19610.8962 1584.2032 1585.5857 13608.9164 259.0682 43984.1402 34579.3425 1750.0872 30933.6448 850.7270 37620.3108 49119.9639 11261.9704 3225.0360 416182.2775 26788.1648 63593.2022 33520.5550 1277.6643 1584.3432 38891.3690 30491.2949 22353.8437 1681.5430 47133.1892 12599.7014 8879.6311 30013.6619 2690.3645
Homatropin 19094.3440 20195.9628 2177.5058 64089.6541 19583.3061 9128.1491 18620.1401 17194.3298 36417.5443 9022.5270 19689.3531 1820.8727 23542.1348 3105.3774 21371.9743 20134.0970 4013.8034 58259.1815 15674.2787 23500.8024 15901.1976 47073.2418 17656.7757 24513.1722 20474.9394 1564.8353 36338.7659 14511.3436 21556.4873 8516.1773 16425.1286 21311.6803 3702.6819 23324.0802 31115.7034 29497.5121 5034.2548 34920.6840 1842.5436 667.0640 4908.9763 4129.6598 14964.7681 20664.3509 9333.3759 24143.0133 71322.8436 20537.3996 2751.2789 21317.9027 22978.3206
Hovenidulcigenin B 714.8280 938.8292 98.6897 551.1194 238.6619 753.5394 603.0471 783.1943 848.5127 698.9815 1280.2774 657.8940 1034.1084 887.7963 488.9173 105.1145 133.1105 599.7414 977.2942 487.8710 1267.3318 324.3800 426.9756 516.4440 692.9979 853.5963 1517.2273 196.5999 837.1114 560.5447 782.4938 90.8958 969.6778 989.0481 464.8881 1261.9884 1707.9652 1349.3976 1030.8336 1445.0297 1020.4438 1264.7157 687.7623 1160.4087 576.9116 214.6560 3397.0053 608.7594 940.6436 113.4225 409.8800
HS-10296 2617.8646 3129.4041 3820.4025 2269.6365 2542.0106 3207.2046 3658.1164 15524.2614 30909.3885 4949.0761 14483.1278 2189.1331 2504.0709 51119.7332 3282.2140 8156.9380 3111.9183 55600.9350 10857.7012 3476.9172 5117.9340 1889.9663 2918.4482 2660.2045 2014.4998 132147.9392 8703.1946 26335.1217 4624.3833 116445.8905 80969.3034 83180.4048 6479.9106 8008.6373 13134.0242 89694.2401 14229.7138 3907.4243 2680.8377 95732.1582 6023.1448 2739.5651 3848.0531 5009.7869 4416.7073 2659.1099 3133.0829 3132.9504 16226.4510 17047.0488 11436.2823
Huperzine B 112358.6945 86910.6915 314284.9428 162047.3899 77458.7711 118095.0505 249038.0466 103074.6559 81285.9986 82778.4272 88657.7523 115947.2375 106206.9523 39662.7790 48779.4338 87236.3808 39507.9852 143341.0640 99579.6688 125658.2245 117505.8551 184294.0327 127532.4019 52726.5088 48410.5943 78502.9884 106235.1358 106406.4742 96727.2908 31757.0057 297737.5592 39538.6172 36212.1997 99712.4451 80608.5559 112288.7708 71386.5183 91268.4064 215124.0535 55458.8494 95951.6153 41118.0188 135166.2036 86223.2994 120137.7319 45725.4713 95825.9330 85635.4815 87889.7375 96336.4147 95098.8492
Huperzine R 2255.8313 11557.6950 11370.3956 12879.7152 19570.6321 11256.6953 7090.8524 6948.4390 4906.7383 11462.8547 5782.4077 10038.1989 10700.6927 3455.4481 6247.4913 1674.3228 5441.7297 4772.7425 13084.1935 461.7409 11329.6465 7079.5453 17584.6960 13110.6378 7274.3748 5189.7942 14088.7942 474.2254 7774.1483 9318.6664 3808.7917 18676.0448 339.2045 9194.7507 27690.1892 12897.4907 16324.7686 1816.6326 3215.3759 31231.5652 25332.0686 5337.4373 31187.9603 14060.3467 4397.7612 20936.2719 8956.3436 14982.5910 599.7641 11566.9218 11323.4926
Hydrastinine 2765.5598 5835.0891 2442.0340 2562.2185 3088.5573 1860.2428 1932.3452 5474.2862 5183.7456 4579.8518 4077.5158 1325.9422 1369.5044 3607.3919 2552.2921 2433.2148 1064.9515 5046.5713 6080.4593 1859.5197 4131.4019 2640.8968 2041.4050 3826.1879 2682.4052 4663.8462 7111.1612 4281.8556 3032.3031 4222.7372 1961.0359 3700.0983 5532.6741 3460.3969 1960.2013 5537.0655 4809.9679 3167.1862 2699.0321 14075.1891 3594.4605 1865.5957 999.0273 3584.1011 2247.4490 1471.7089 1242.5685 1265.3061 13153.3067 4120.1065 2861.2509
Hydratopyrrhoxanthinol 7644.0282 15748.1230 2630.0030 2153.0807 7274.2256 6047.6079 5058.3457 7223.3945 8962.0275 15631.6921 15737.5504 6654.5876 6993.0772 9633.7051 240.7103 6484.6094 7116.7296 9554.1183 22610.8113 6513.8290 405.2680 7256.1567 6509.2343 9518.4431 9467.3019 7983.9852 2582.8473 9097.8528 7581.0252 1649.5959 7243.3098 8609.5162 5949.5738 2520.7159 5147.8329 9801.2457 7302.7920 8610.9043 476.8111 23839.1163 981.6048 12564.8588 13492.6324 12023.7422 6210.6521 7837.5099 7670.5489 6889.5001 1021.9300 14129.2146 10832.9776
Hydroxidodioxidosulfidosulfate 4124.3785 24714.0127 20930.2724 24790.5155 32044.3421 27062.7993 44475.6958 33425.7670 18489.8638 34439.1229 4346.8955 22626.8491 34783.7931 29096.6331 40298.7461 27090.4252 17025.9535 40545.0356 35387.0521 17398.5303 18094.0053 34601.7723 25781.9315 29792.8454 25649.8760 41575.4635 27523.7239 24066.2633 6548.8381 27582.9419 28040.1060 57376.7966 28274.6120 23268.6678 26750.6358 49364.0787 57324.4234 42531.0759 48782.5384 26696.1134 29112.5733 73335.8767 25003.2523 5712.5372 36923.2903 55232.4103 69157.9623 18701.2808 7190.6153 58147.6868 29691.0018
Hydroxycitronellal 13648.2424 45388.2147 23851.1232 26666.5775 25195.0274 28751.4348 53404.3653 23471.3570 18912.5749 29747.1634 28384.0163 25376.5376 14997.4796 13351.9599 23640.7239 20826.2980 31814.7752 37034.6447 20865.1384 28596.8324 30577.4425 29357.0544 27081.2736 15052.0712 25488.6798 17948.1233 23877.5048 19449.2939 24020.8122 22912.2595 20358.6103 27522.7398 20789.3139 31616.6624 23811.8705 21402.4267 23058.3951 16621.3237 18323.4170 18977.2336 14244.1391 24650.7245 22571.2161 25648.6012 26464.2481 25867.0329 25158.3569 25756.0844 25844.9913 19159.3998 24167.3600
hydroxy nitrite 23101.0138 30859.1183 23690.6355 41595.1871 29766.6405 21489.7735 37204.9024 25536.3046 24428.1641 27807.1848 28206.9253 21568.3636 20309.7203 14366.7283 28224.7622 28419.2514 26005.0913 29346.8315 16188.0681 27216.8064 25095.0054 25178.6273 25929.3809 28120.9148 31117.0254 23556.2210 28069.9904 12728.4691 25185.7518 32733.7523 22641.3136 29358.3588 28207.2437 25477.7897 18038.2179 26658.4121 28724.8297 25151.5155 28764.1059 28376.7754 17181.7926 30529.8889 30802.5004 37073.8629 28082.5144 27553.0804 29332.7351 25033.6073 25716.9062 26080.2932 27609.9810
Hydroxyquinoline 25061.9050 24668.9432 44681.1049 30717.2358 64259.0177 36908.9883 89789.8159 70114.6068 16793.9073 50336.3289 38721.2173 17967.1988 98988.1641 56902.6680 139609.3028 94585.8950 38841.1814 14015.3876 10531.7536 73472.5867 23609.4984 57494.3143 85490.3702 79871.2958 155278.5401 23602.7909 100355.1917 71261.1105 116865.9187 42182.7453 101038.5596 164790.0907 46725.4417 191269.8557 100784.3779 25966.5436 45552.1500 81472.7371 67088.2040 80748.0774 52240.6688 66624.6607 122294.7068 142493.3290 141838.1171 117665.4834 100879.4193 126805.8111 40938.2363 92181.8865 110217.0938
Hyodeoxycholic acid 4282.4560 5837.5115 4243.2448 2610.9792 3045.8051 400.2474 611.9321 5658.5416 3326.6830 4999.0936 4710.1773 903.6010 5449.4665 8892.0041 878.1069 1592.6362 3469.6226 3354.8889 5849.7537 2685.5020 5520.0854 6052.5574 2233.1428 5155.2489 4631.0772 4185.3046 4568.2448 8746.5393 3398.9214 3990.3869 4082.2975 3058.9190 5853.7010 2434.3395 2273.0585 3278.3719 6804.6390 4472.8776 5346.9865 5431.8499 6300.0989 7681.7349 2675.9093 1875.2412 619.5848 3869.9366 6844.7800 2599.8336 2681.5912 496.2399 4018.7011
hypoxanthine 55729.3589 8324.4662 76545.6724 117469.5865 40254.6960 10435.5776 3586.7361 55703.3285 13712.3358 50686.5987 32240.6230 40560.3410 24534.1179 29650.2070 14060.0978 5259.5777 91729.6456 61773.3989 58551.2818 30339.4877 3582.0992 43091.5609 2797.3248 89184.6037 41107.5408 93822.0172 19448.0377 43377.6339 27036.2817 15699.9526 14031.1320 113996.9719 24153.9140 99357.1393 90109.8115 17236.9708 23963.7667 29507.2385 13407.7931 53396.7618 9726.3322 46398.4829 30791.2234 108248.5606 30931.5789 7689.9942 44091.9902 34133.1938 78939.4555 46345.6225 36737.2958
Ibudilast 1681.4903 1859.7011 1728.5261 2384.2936 2463.4702 167.2221 1850.4645 760.9674 1599.4137 179.1453 1324.9707 1002.5912 443.5071 737.0062 201.8911 2416.1260 2183.0115 1679.5337 1476.0014 1793.6494 3633.3468 3885.3503 1784.1902 1839.5523 2415.9493 1711.6937 3638.9070 878.3114 2611.7702 2194.0610 2538.1623 1596.7373 2029.9634 2157.7613 1715.1787 817.5894 1906.4690 2350.3538 659.6206 2586.3743 3622.3306 2351.4863 5332.8652 800.2684 5464.9321 958.3774 8313.6844 1190.3267 1670.4344 1659.6818 876.9138
Ibuprofen 908.4677 2485.3011 1083.9459 1024.4377 615.6325 1128.7167 1493.9902 1201.6707 399.6800 1216.7070 1049.6051 1071.9962 1596.0862 3785.1779 807.6676 729.7955 609.1820 1179.6291 890.1272 1243.8383 2680.4314 1275.3242 865.2746 1073.7889 1502.4733 395.2703 1025.9055 1354.0582 1451.1483 2677.6348 3307.4943 159.2419 718.1964 327.4222 141.3343 1744.5425 1956.1169 937.0826 2409.0676 164.1248 16735.3096 1040.4695 1413.8251 1079.2651 139.7538 783.9179 1189.9295 914.2243 2175.8518 355.9355 1033.4887
Ile-Asn-Phe 27989.8008 19924.9026 55700.8109 33263.8721 22079.5998 23607.1937 55480.0692 39202.6681 28443.5853 19876.6214 28308.3083 23270.2007 25302.6699 52758.0031 22371.0598 48216.9413 15268.9340 85419.4783 27739.9726 30433.8277 29560.4787 21806.7004 28126.1646 28155.7935 17992.1998 106774.9707 36686.2973 53100.2011 30482.4048 149979.2004 293745.5638 110135.4534 25524.5950 41908.3059 42640.5489 65279.9959 37900.4577 24169.6596 38545.8001 141932.2226 37933.3824 15364.6967 27336.1159 26572.2311 52969.1736 15747.5577 30174.0871 24912.1128 38358.9574 48586.7402 27713.0605
Ile-Cys 7682.8612 8257.2285 2119.4051 15275.0703 10253.0885 844.8162 1136.8651 8573.9111 7480.4623 12007.2987 9293.8111 11261.2860 10884.8334 6714.7808 6634.8666 16023.4862 8680.3009 1860.1479 7654.2046 1179.2897 23894.2919 1771.5706 641.6755 8937.8551 8987.1152 3576.3961 12001.7987 9640.0382 12930.8428 21569.8049 2808.5762 13457.4294 13049.6644 8586.5821 6610.9756 4726.0171 12284.2835 6304.7768 5275.8073 10647.6383 21042.2718 6948.0877 13256.9112 7784.1274 6191.9353 8423.0521 15808.5233 146.0467 12572.9686 5554.5248 7889.5056
Ile-Glu-Val-His-Gly 6374.6134 10395.0621 3555.8999 15796.7787 4344.7622 2432.8148 2666.8328 2327.0396 4935.7158 3474.9980 1154.4969 1365.7298 2183.8325 612.2528 4429.2295 2895.7401 2008.0871 2261.8760 1772.3608 3427.5117 55727.7287 5895.5132 3944.1829 6073.6305 6417.1868 876.3161 775.0039 6851.4197 6596.3612 2796.1995 366.7632 490.0288 343.0914 7343.2133 3769.1268 10301.0560 23142.2872 15203.8818 5352.0644 2943.2006 7078.0700 18362.6560 3323.1673 2987.5262 3022.9200 689.9141 5995.6623 429.7658 85491.9058 9411.3677 4006.6055
Ile-Ile-Arg 5909.6791 987.2475 4450.7129 4069.3222 4621.1740 5183.6333 4270.5137 26089.9850 3099.7692 4373.1095 1160.8536 6672.2742 3245.1505 1258.6926 6089.1690 5113.0130 861.6860 4908.4737 5709.0497 4471.6981 2085.2576 3551.4005 4310.6196 515.1222 11650.2449 546.4765 4010.7655 1166.6461 1187.6812 1242.7253 4285.6578 5803.9015 21253.8941 3166.0569 3283.5464 2045.9805 514.9011 7617.1024 2244.4552 3768.6474 2983.9920 4223.5457 4433.4982 3341.5419 5074.9287 3702.1003 2600.9984 3867.7320 3292.7860 546.8115 4361.8628
Ile-Ile-Val 2614.2266 4292.4659 1927.2947 4433.8946 416.2027 202.6821 1473.0438 2564.5804 2820.0300 5422.3280 2763.5665 618.2263 117.7723 2596.6904 463.0358 1805.8795 1344.6750 2073.0070 1095.6749 1353.0481 4211.9575 5168.7756 1762.6413 4762.8576 3801.6159 4459.4667 1787.0031 3008.0345 2538.9787 392.8380 5877.0057 3350.1463 4372.8227 390.7851 2223.7560 5303.3306 2549.5757 2621.1469 445.2620 3173.0395 950.9652 2369.6365 2364.6004 2042.3920 88.3215 622.3086 3331.7202 4077.3408 86.7530 1413.3986 284.8309
Ile-Pro-Ala-Asp-Val 1272.9750 1305.8410 982.0224 974.7265 127.8521 87.3431 135.2447 1301.1528 1479.4260 263.7820 360.6466 862.8338 643.7327 1416.6969 934.9615 930.4585 977.4526 1144.3692 1300.6023 968.3247 1383.3228 1277.3593 864.2254 1662.1088 1281.0067 1449.1390 1049.6850 1108.7128 2136.7149 926.3773 1646.8763 1284.8062 1461.5807 949.2260 1296.2841 2452.5720 1725.7394 3565.8876 1210.2881 88.6733 838.6911 783.0300 182.1346 883.9475 1102.0224 1289.4053 3732.3797 1072.3990 3760.7868 1373.5028 91.8469
Ile-Ser-OH 24987.7353 15434.5763 19975.7831 8914.3849 7167.1687 1569.5179 2294.8246 4451.2831 15715.1319 16563.7820 9200.6784 1779.9210 939.0283 7663.8004 6612.2616 15330.3316 1203.9536 4116.2232 10912.5688 5657.0612 8706.9708 50985.7763 2793.5088 5098.5744 10889.0399 13841.9563 5231.8689 8269.1747 19761.0355 4034.6228 11983.8759 17827.6722 6525.6380 1866.8421 7300.3278 11618.6765 828.1801 13929.1882 8508.0712 1247.5422 8584.1829 7139.1469 3828.8104 1245.2287 5211.7361 7592.6723 12526.4535 12886.6541 132.6332 5281.0689 4455.6140
Ile Val 3179.1176 1323.2076 1791.0593 3062.9732 2211.2605 2571.4752 2626.9482 2007.8210 373.6409 469.5405 999.0251 14836.7579 1425.0619 1312.0945 2071.7458 394.5287 2303.4374 1543.8257 1676.9122 2035.3288 404.3803 2954.2372 2469.7963 1829.8339 890.9070 1222.7148 1588.6684 1351.0657 565.3161 2021.2513 831.7836 2945.4501 1395.0631 1566.1947 407.6202 1338.8626 341.3445 488.1303 2389.5723 1939.1870 1078.5742 2428.5697 793.0438 1446.1302 2940.9235 1689.7074 1332.7266 2938.3300 1213.1338 1947.2334 2477.5752
Ile-Val 6717.0660 3951.8234 1701.2293 7726.2565 2076.3198 67.3423 459.9364 1663.8142 2317.1571 5482.9776 3508.1930 601.3576 1666.4624 40653.7424 1826.6000 4077.3692 283.5462 667.8749 6045.3831 2048.6206 10901.0536 9604.1676 500.4204 2254.2661 3864.0575 7133.0285 985.8130 4020.2653 5863.5926 381.2877 4251.1983 6122.8956 3142.5825 2006.0021 2956.6552 2591.1856 268.8882 4770.7796 1581.4386 2008.0852 2779.8298 2456.0191 1581.5304 716.9384 1639.3757 2589.2907 4677.6027 3577.4609 521.6672 922.5414 1601.0813
Imiprothrin 13432.1586 5877.3988 3140.1724 35037.0403 54762.2636 5840.8141 32001.5655 154284.4303 46816.4417 9651.7351 32536.6645 826.1224 38408.6946 156451.5892 42461.2410 6229.6837 22176.3206 42443.4101 28553.6762 41777.9405 786.4377 23336.7548 26741.1280 398746.1834 49177.4060 11181.1807 10212.9980 16688.0576 66709.2555 138925.1415 104411.3085 8396.6551 79368.6790 44595.7747 1041.7755 865.4729 2884.8283 59867.1148 33300.2167 25870.7245 8404.6864 1909.0599 40177.0393 33696.0204 28443.5026 104726.6855 29824.6736 30405.3453 8942.5722 34466.0076 2915.1246
Imiquimod 19494.6650 28544.0731 28051.8359 26962.8669 136760.1006 49816.8189 29249.9381 25724.8656 25606.5519 23752.2816 22972.1642 31254.4503 17634.7436 19387.4951 44290.3920 37754.5288 28928.2542 33105.8417 11270.9943 34467.8057 23644.3290 23149.2957 55201.0602 22871.8016 36230.7337 23742.1701 24489.6640 21292.6144 24595.8055 30079.0071 30662.5069 37832.1925 23486.2140 40271.1074 37409.0010 30511.1897 29821.9742 35850.4835 25701.7895 26797.7522 64580.7743 125174.1740 32285.3703 18248.1654 52627.3359 37216.8877 18192.5698 35469.5972 128871.6380 34367.4912 33024.1164
Indinavir 766822.3497 2136984.6180 184042.8672 1127189.1870 10396.0337 627488.0110 562617.3638 17927.9617 610290.5085 2272053.1640 1867915.4760 1269216.0300 644549.1698 1429005.6510 894673.5259 1792.9779 1314906.6500 1477429.2300 2561454.2900 601406.9272 1946915.0880 2475.8976 652638.8067 107108.0640 1939365.8770 178460.6641 1051045.9010 1457.9957 543928.2890 347903.2732 6099.6319 533172.4941 871619.0797 998843.1518 1166635.7770 2392815.8830 2396428.9070 4372.5359 2731508.8420 2197435.2070 2967022.7990 1395856.3220 1900057.3230 1877248.6570 71445.0940 473488.4108 647119.6950 525950.4166 2625449.8510 2007187.3420 542752.5796
Indole-3-acetamide 2068.0631 1966.4654 2267.2270 2440.7001 2529.5611 1297.2471 2047.4452 1211.9236 2305.3786 1892.0650 1204.3830 2225.5379 2216.1556 1424.6333 2070.3275 1500.7641 1909.7798 1941.1376 1820.6174 2079.3787 1706.6105 1640.2537 2825.0666 1620.8758 1917.6782 2139.4809 1922.2644 1806.3014 1636.1556 1530.1731 711.7415 1659.2625 277.4256 1802.5227 1702.6247 2196.7180 725.3399 1737.7343 1035.6472 1459.9910 313.7175 1028.8391 2549.1307 2495.4711 3020.6651 2638.2357 2082.9517 1914.2891 1799.1352 1638.9295 1966.5864
INDOLE-3-ACETATE 1878.8685 2786.9550 3303.1282 3378.1328 4195.4495 3822.0812 5549.5900 4537.8085 2602.9071 3502.1200 2920.0371 1292.8023 5161.7346 3562.9616 7122.8014 5047.7882 2062.7862 886.5283 1127.7209 3357.4807 1727.3182 3195.5154 4299.9468 4995.8114 6952.4504 3349.0000 6335.4820 4261.6195 5993.3809 3683.4246 4808.3569 6938.7721 4710.2025 7312.9767 5588.4102 3123.6220 3287.8905 5337.4109 5260.3332 6857.1740 5057.8293 5760.0025 6153.4774 6890.2307 7515.4982 6247.6673 5807.5940 7541.3215 3602.1727 5190.3985 5444.0092
Indole-3-Carboxaldehyde 14030.9286 14572.2230 175.5157 2899.7388 11614.8499 145.5094 811.8012 4422.6310 42501.5011 3468.6251 29673.5828 2066.5532 7026.6059 37016.5424 20553.1182 2039.4388 14206.9507 9173.8943 1339.2088 5660.3303 17184.9625 20252.8996 2370.9221 8040.1585 1542.1816 5984.8344 25666.5832 3770.7043 2418.7962 226.8750 11473.6536 7043.6151 1629.4436 4974.1930 3921.1874 8513.3239 6380.6470 1207.1407 13716.0060 9793.0741 3384.8459 2610.1532 9999.8128 8858.2083 34723.6494 2162.4895 78826.8246 188.4583 202.6817 2596.3041 1535.1778
Inosine 5^-tetraphosphate 936.4300 10366.3054 4446.4535 11365.4398 1268.0338 2803.5092 2494.9592 10221.4767 50440.8912 16439.8015 21836.2291 538.2919 104.4681 1711.8250 7408.2216 3142.6603 1829.4872 57372.9109 30047.1327 2848.0525 109.6481 11217.5654 53.8147 11285.8830 10716.5080 49374.4492 722.6579 17694.2263 3165.3087 5434.1521 2774.6517 270.4675 9299.7008 4851.4828 10395.2266 49336.9260 8339.2398 3248.7241 505.2506 1922.9624 627.4673 2167.7068 1731.8561 10093.9588 2705.9336 3027.6814 781.5557 2421.1362 11130.4697 299.7813 13899.3856
Irbesartan 3672.3715 3983.0862 1444.8159 758.4947 4412.3994 1962.4503 1943.2481 4081.1494 1733.3961 3308.2934 16280.3581 2435.3472 2773.9151 4499.1847 2481.4054 1793.4873 1390.6842 3396.9432 8364.6392 1557.3468 1725.9517 3401.0069 2125.9568 6871.1435 18742.9654 1038.7019 1530.2989 16045.4467 725.8920 2027.1069 2324.3218 1200.1967 8804.7283 2979.9831 943.9114 883.0073 3211.6949 6265.9324 8537.1121 7237.1777 5562.0344 7700.6035 780.4500 1530.2841 1815.9915 1764.9904 7454.4405 1328.4539 793.4828 487.4056 972.4994
Isoleucyl-Isoleucine 24503.9841 23971.9099 11647.6662 24876.0658 13353.5784 1701.5862 3883.6421 16832.6417 9798.9169 38747.7876 9538.1675 6222.9939 1049.7323 22386.3275 20893.3899 10571.5810 741.2853 3242.5683 16331.1093 8652.3345 8747.4468 36893.5595 2867.4701 8160.0985 15578.8613 23364.6119 4773.9161 27719.7254 23941.3743 1171.0226 22533.8485 28178.4644 12983.0371 5907.7002 14342.5434 16810.7384 5083.1359 15003.3386 14360.5515 10567.5739 7363.7976 11827.1630 9440.9296 3438.6034 6381.5661 6722.2721 36965.6701 20294.2288 1262.1678 2855.7765 10699.1577
Isonoruron 3579.2497 1544.8604 2302.0965 1881.7836 1470.7053 1873.2644 1975.4401 1167.9987 1755.6286 1610.9304 1315.8994 1946.1482 1902.8836 1734.1950 1828.1149 1838.9956 1930.9776 1739.7733 588.2438 2627.4327 344.2059 1691.1250 2110.3280 3617.3940 2268.0383 8055.0864 475.2887 1985.7430 1691.0601 1735.6499 2378.5201 7174.4536 3247.2338 1958.9758 1939.6719 2469.2684 1750.1899 1312.8397 302.0967 788.6243 3697.7173 1795.3956 1571.2237 3169.4830 1716.5719 2491.0336 2415.8335 2728.9235 1255.6912 1455.4343 1852.2184
Isopentenyl adenine 14442.0223 11070.1064 7769.3325 14642.7934 4933.2012 3359.1471 4334.6658 4594.6398 9895.2858 12957.4679 7958.8795 13246.4788 9571.0532 8956.6687 22070.6978 20862.7455 3359.9693 3753.2030 6896.3133 5825.7512 5471.3404 25916.3816 5601.1423 6826.4042 10777.3740 12858.7095 3544.3064 15993.4036 15392.9777 2627.7283 16264.5152 18198.1958 5056.8796 3793.0914 17477.6652 9087.7615 4284.7661 8319.8053 2694.6178 2165.4111 6893.8270 5018.5110 6004.2084 3592.6509 5926.0005 12702.9922 20234.5441 19260.8406 4595.7461 2471.6605 48885.7142
Isoprenaline 12889.3936 243.4705 1100.6660 2926.7941 1424.4833 6035.3610 697.8372 17930.4997 33209.8321 47.5604 6683.9454 427.3679 537.1062 311.4272 6189.0503 124.7209 152.8413 53.3098 49246.5433 11422.4860 6424.0054 25572.1116 17388.1954 371.5593 294.1613 102.8723 11455.7675 232.4762 1278.4289 1961.7251 95.0838 13898.3670 6491.7174 55360.1296 15158.8291 1740.0445 4691.3339 8519.7301 1267.0812 35308.7299 8040.7278 331.0983 23899.5346 1169.9597 33467.2031 15052.0326 471.3378 19190.8496 709568.3311 7499.6311 1857.2272
Isoprene 1600.0660 1782.1089 1232.8503 1543.5804 829.0962 1281.2983 1818.5542 1378.8901 1548.4291 1421.4975 1982.1612 1399.6669 2162.7743 6135.2881 1622.8199 333.3003 1877.8781 1484.3407 2046.9547 1801.1205 1863.4456 2344.5232 1548.3339 1800.3357 2319.3625 1380.7757 1870.1292 1600.5548 1836.0713 242.0254 1191.5979 1609.0802 1390.9451 1813.7701 1634.0477 731.6638 950.0870 571.2437 1595.8468 1349.7977 557.9206 1534.3426 1597.3919 1792.9479 1122.2656 2584.0470 1772.4008 2266.0582 242.4012 1504.1667 1849.5277
Isoproturon 3339.4397 62573.3156 44738.9249 1732.2682 42991.8472 7199.9422 3072.3017 117.4648 3426.0021 473.6976 3176.3789 17867.4071 23804.2426 929.1106 290.7112 972778.9197 17863.6429 28397.1621 57037.4545 57144.7664 80884.3398 11386.6960 57188.0780 12211.6995 61217.4646 13082.0559 27342.2647 9037.4829 11749.2632 121907.3642 42764.8017 1422.4138 60854.3161 986.6298 18944.3613 45712.4702 121.6283 73593.2612 57935.0107 40457.9362 65773.3917 34518.5873 25468.9074 135.4355 2940.3045 13871.1093 235827.7926 1034.8616 43651.7565 6184.2233 1345.5745
Isothipendyl 2079.4688 2015.2383 1032.8416 1951.6819 1683.0841 1834.6954 2731.6147 2157.4623 1905.6141 365.3608 1850.5531 1949.4280 1843.4336 2133.1009 1912.8413 5358.9953 2043.6723 1803.8965 1676.9506 2223.7958 1325.5204 1948.5497 1955.8399 1540.2365 832.6529 1970.3955 108.0939 1824.8922 2068.4517 7178.0560 1086.5361 2160.7098 2857.4730 1875.9843 1946.1218 2909.2685 1786.3976 342.9183 2057.9770 111.2996 2389.4637 110.4676 113.0215 1794.2459 2155.8934 2184.4853 2056.1913 1919.1836 1740.6186 114.4671 2186.5376
Isovaleric acid 3832.5976 5497.7982 7021.1738 5673.4950 6322.7905 5757.6722 7335.9632 8592.5314 4546.4117 5744.4569 5176.1012 6715.8350 6481.1662 4100.0566 8340.5332 7174.0101 8932.2573 7204.7937 4720.4992 8541.5511 5618.5760 7798.6162 8260.9928 4753.2026 7741.9639 2772.2872 5991.0716 3744.6274 4734.3995 2565.9775 4127.1444 7625.6146 4185.9500 7789.3240 7362.3737 6452.4558 2804.9778 5001.8683 4020.5307 5231.6516 2768.5838 4782.0433 6209.8715 6957.2580 10113.9898 6929.6940 4887.2865 6649.8516 4628.9100 4780.7437 8314.1902
Isovalerylglycine 835.6471 2730.4476 443.3488 564.1657 903.1378 111.5178 214.8736 2232.2464 1285.2127 1305.6849 1980.0376 96.8165 897.7571 890.5624 218.5970 3574.3361 116.8339 587.6040 2158.5610 1333.8552 463.9609 842.4511 124.5141 941.0633 518.3874 1969.6552 1636.4939 1191.3401 1191.1638 2477.1978 1101.7277 753.1818 2681.0316 5301.1169 2042.7153 2648.6295 4337.4160 1259.3591 2199.2007 1786.0338 2368.6906 1230.2360 3452.9588 2298.9656 1079.7073 1397.4727 651.8578 102.4564 3761.1337 1646.1462 283.5274
Isoxaben 4958.9983 880.3343 4336.1791 1168.5471 9534.3159 4958.0659 8119.7329 9006.5933 7157.8349 1064.3312 2210.8267 1797.2967 5594.3148 3530.8502 4094.6606 3100.9715 2092.9993 424.0984 142.6421 2706.0466 183.1681 11241.2167 2263.4103 8780.1583 878.6610 1008.3844 2073.2573 4137.5401 4421.3529 10503.5539 2899.6123 6454.0587 3551.7980 3788.7096 468.3501 587.3976 608.6130 11465.0022 258.1613 125.1896 793.1669 1307.5042 2246.4543 1916.5399 3554.8734 7320.8340 9105.9555 3572.2791 656.2559 167.4121 4223.2340
Istamycin C 151.4968 5646.2190 1739.1998 1355.8608 1196.9107 661.8148 1187.9492 1861.9014 7053.2146 4202.0330 4857.3417 332.4098 1094.9482 857.5878 1710.1174 83.9330 2132.6673 720.2823 4443.6589 1321.8021 4786.9895 2093.7021 1158.1546 6751.8839 3210.2410 2249.0197 2501.3580 3628.8580 220.4114 4475.0518 1796.8292 1299.4598 5554.6557 7675.7193 1481.0773 5587.3886 4735.4228 828.9749 2487.3612 2763.4966 6370.1962 818.0440 6129.6316 1969.4756 703.0972 371.0413 1326.4097 210.6310 1652.8431 1870.8141 451.1868
Ivermectin B1a 4455.6763 11468.3816 4263.4086 5172.8043 3640.8883 4668.0350 3888.6398 2302.9119 4584.6076 8571.5516 1676.1261 5104.9893 1397.0513 11013.2519 3531.7660 1373.2868 4499.2061 5818.2381 7430.8306 2964.8586 8043.7859 9768.6116 3216.5723 6217.6630 5733.5586 6171.0513 4430.6822 21506.8218 6028.5221 1387.3707 5471.0838 3822.8142 19607.9241 451.1191 5449.3815 5862.9625 9708.9518 1891.3905 8466.2128 2426.0805 4521.9039 9357.4091 4368.1337 5088.9174 4093.7160 5393.4075 361.6782 3010.3090 2853.0842 4720.6188 4483.2498
Jasmone 68070.2493 433938.9477 171988.3613 527055.6717 135839.6259 78827.2906 211556.3472 164753.2781 72717.6386 297972.4399 115554.0119 163989.3361 84498.0302 68745.7590 587652.3745 670852.7646 126582.7330 90282.0303 94261.0550 133202.6496 521330.4241 133552.9350 142158.0184 145144.3851 79657.6282 87683.0749 73456.9286 105001.0844 212874.8387 793867.0463 104227.7760 86571.0646 299612.8629 329435.3588 83167.5110 165609.5011 105085.0653 95904.0630 277686.5231 212303.7014 311664.0646 359549.9331 556530.7661 362324.7029 97259.9994 577374.9296 178404.9983 157584.5240 350139.5077 126799.8430 112823.1837
Jasmonic acid 973.4832 6609.0608 2471.8379 6603.3191 3177.5334 1942.3343 1649.0795 3036.9203 1379.1804 4862.7172 1473.6841 1261.2746 762.5784 569.8550 1371.2900 1838.0007 1580.1967 2065.5436 6695.0233 1298.2528 18322.2644 6019.2044 1273.3444 1246.4747 844.1026 3249.0604 5556.2747 293.0739 1654.1755 27641.8303 2257.5297 2364.0808 2934.0651 1666.2717 2088.0625 6636.5339 10715.2024 2567.8054 9244.2937 3846.2070 4969.7257 5793.1594 1489.2915 1713.3633 3234.3446 1762.3650 2393.3896 2050.0534 6708.7654 3762.5757 1812.9081
JWH031 1388.3699 13425.5904 4022.2319 14211.6835 1519.9041 39.1402 2405.1405 16508.4368 76585.8436 16927.5065 39023.2111 415.8673 750.2742 1503.6136 9655.0855 2101.4917 1649.2359 73243.7182 28380.0055 2013.7953 733.3936 14062.8513 75.3328 15014.4918 15360.9381 77139.6128 1815.7417 15468.1456 3580.2387 4236.6632 3127.7699 787.4361 12749.7946 6652.2910 10843.2842 76393.0573 10195.7281 5127.9308 799.2902 2621.0491 569.4320 2910.8788 2751.7364 10335.5844 3867.5186 2529.5429 720.6080 126.3015 13471.6959 489.9894 23543.2361
JWH 309 27660.7637 26829.9788 62016.4877 30241.3414 35501.8156 13020.0504 4816.7879 1323.9622 165127.3897 26582.9525 20534.6918 811.0245 5504.8863 91085.2432 3459.8567 1141.2715 690.6960 41272.9256 53865.4050 20730.7368 28331.2003 2490.8029 2827.2459 109552.6425 11386.7384 6701.1023 6474.4127 291981.1967 16043.3182 69565.4888 44400.5555 23024.4441 51311.2639 22755.9503 18142.1820 6789.5283 30038.1607 5852.3501 10779.9785 2829.1333 30526.2228 48117.2574 27008.2005 2018.3566 1880.5287 64457.5695 58191.9585 92354.8430 31847.9459 778.7231 31542.1770
Kadsurin 1463.0426 35400.2829 43324.9420 51418.5109 29297.6538 43343.4235 145433.5030 14411.8091 23317.1852 433680.9658 8821.5227 27775.4838 18288.3532 9828.8134 38999.7149 39398.5421 58294.4824 30118.7743 1367.1398 42457.1058 40703.2056 11329.3681 985.7864 3585.2712 21247.2697 12699.6376 42056.0714 916.4379 1100.6692 38715.8196 33064.8417 13587.5440 4835.0090 480.2449 14469.9707 20526.0004 10436.9955 1411.7934 56319.2721 35502.3182 54530.1934 12580.4013 3237.5802 5250.6417 38683.4808 1895.6157 25625.8564 31991.3411 7543.4814 9233.7688 159.7899
Kahweol palmitate 6330.9803 6840.8434 8835.9847 6407.0060 8133.5755 7522.9443 7399.0720 6832.9783 7858.0440 7113.9739 7829.3513 6217.6010 7076.4234 7214.0866 7323.5310 7538.1465 7076.0209 8003.8807 7081.8421 7982.2370 7537.1483 7593.5110 7911.1152 7294.9971 8137.8369 7013.5550 7729.1765 7623.7365 7223.5561 8219.7836 8037.1655 8725.0481 8905.1474 8350.0037 7447.5535 8578.6162 9114.3733 7607.7019 8509.8208 8446.8381 7722.0367 8539.1335 8216.8326 6326.2123 8105.4721 7425.9602 6197.7644 7308.6640 7120.4071 8817.3774 7937.1593
Kainic acid 3255.4502 2498.5864 3971.0781 4703.7076 1603.2181 4164.2196 4026.3633 6384.9123 6508.4687 3831.9915 2360.8122 2928.7350 1487.5444 981.4751 3871.8323 1849.5280 279.0273 4576.8738 3223.4105 3975.1070 5141.4915 1430.1188 3031.7426 18460.6585 631.4819 1599.6186 3141.5991 1338.4272 4981.1142 3131.5558 5181.5020 6819.2263 486.0602 3066.3275 3450.2635 3500.1223 2650.5756 451.1962 2334.3145 3663.9371 1230.0494 5711.8300 1220.5756 4453.5243 4575.0869 37557.4281 2176.5375 4088.6088 4158.2731 987.1482 3943.3696
Kalkitoxin 3684.6862 6487.6397 2406.5462 3192.8566 3056.2055 8748.6414 2131.3484 79480.9254 3063.4043 5735.7984 11409.7741 1653.3890 4750.3953 5908.3322 528.7391 10705.4015 6382.3751 11922.2901 13049.0411 2223.1688 6516.0479 2029.5940 3235.6734 4558.1210 18770.2009 12786.1248 8120.1803 3440.0349 17197.6304 3029.2190 20259.6090 10850.1551 42469.6955 8002.2518 15202.6014 12306.4466 5539.3579 27338.0126 6896.4861 9942.3741 10681.4596 3401.9384 44231.1545 3692.1200 602.0562 16430.2898 23062.9080 3595.2907 9595.1220 11958.4647 5450.6802
Lagocholic acid 1751.7982 11303.5396 20336.6779 13268.1295 12245.6165 32018.5764 47529.5888 14385.4998 25996.2949 14463.7863 10802.0548 3040.4520 108.2376 33537.3242 14531.8489 13986.1664 2643.4967 361.1955 11580.8523 15045.2549 16303.7393 16607.3538 30682.9752 11609.6658 10045.3277 1641.1799 377.0018 2162.7656 36077.6660 14032.2170 41496.9824 3788.1382 459.4495 17238.7339 11573.9633 10355.5815 13295.9613 6073.9700 11015.9837 12183.4355 12156.2965 13025.9667 15387.6834 11203.2098 16437.0694 536.4589 45123.1380 24117.3818 10823.4755 14174.5529 5282.6384
Lanost-8-ene-2_3_12_21_24_25-hexol 1972.8679 3923.9424 2193.7179 5355.6995 1848.6218 4221.3744 7191.9744 5759.7759 1095.9816 4396.0043 14646.9021 7919.5842 803.8239 2242.1467 6195.3200 152.4981 5015.7355 1239.1014 78585.3859 153.8857 7837.2309 5857.6522 3965.6743 6442.3604 629.9372 6101.7268 7210.1875 131.4506 1262.8270 1936.7985 6487.9059 1448.3480 6702.2883 3752.1424 4826.4102 13059.8349 16732.9890 4872.6022 6880.7249 12111.3712 437.6494 28865.0800 5224.5135 1363.8229 3202.7730 4983.5818 14080.9523 4282.0619 5445.0513 8809.0221 129.1384
Lauroyl peroxide 133343.3940 41318.8975 2011.8087 73761.1627 93730.9993 84895.8500 52162.7952 391.7860 4268.0862 367.5437 101602.4732 122555.4726 108819.4825 164042.6031 56356.1841 104467.5821 48678.6877 4690.6629 27073.4827 87422.2241 1340057.4090 63863.1868 114055.2677 131681.6528 19972.7131 124061.1518 6460.3768 111145.6879 129457.7538 200428.7041 125831.7509 27463.5644 33181.3202 205231.2976 57920.1585 137317.0726 467354.8758 25047.5722 8820.1510 2126.4720 169578.2086 60261.1563 66036.3836 16579.5265 78440.9580 123848.4253 111696.1797 90595.7137 118745.0187 130069.5921 63736.5455
Leu-Asp-Val-Lys-His 145.5006 5596.9073 1290.8673 5172.0672 151.3390 943.8064 966.5663 5140.0078 27903.1692 5060.3654 12138.4353 1018.0745 3004.4111 84.1462 4739.2754 1651.9393 335.7520 34199.6067 10161.3644 1293.0832 346.1318 5280.9839 1723.2594 5877.1805 5911.7242 19518.9016 502.9039 5447.5512 998.5955 1188.5493 702.9534 3713.0462 5316.4669 2419.7490 4334.7465 29285.2769 3559.7075 1725.9603 400.9490 708.3742 68.2952 907.1900 703.6804 4318.7828 2049.7871 1498.7785 1876.5178 1412.0421 5563.0113 1366.1633 8649.9374
Leu-Glu-Phe-Glu 39655.0986 15026.5323 1938.3322 28233.8223 24117.9703 2494.1671 26688.6034 9496.7549 7689.1570 35437.6127 17981.1496 18060.9876 12512.9711 40208.8372 16286.7812 19141.4246 4811.5612 2870.2897 4515.7004 3145.6627 11119.7624 131.4280 594.0045 2713.9538 28511.4181 23580.3427 14281.0318 52197.9329 21163.4296 22334.6405 5888.7225 24110.9181 3010.3563 336.4562 55996.0759 17665.8008 3016.2248 1248.5012 15193.0388 3822.1721 35235.3461 395604.6448 6333.1014 11869.5800 27957.9800 2562.5334 42592.1551 640.2511 26994.3835 21035.4619 10656.1255
Leu-Gly 55111.3525 14821.4266 11941.3667 15763.8703 10548.3402 2600.6786 1366.5342 11410.2137 9430.5207 19480.3023 10336.2234 2361.5924 8166.0745 9485.3490 6825.1063 23944.2150 2035.2755 2816.2922 11364.2408 9678.1367 16503.3955 27165.1735 3808.0088 14104.5299 27384.3385 23350.8413 7467.5785 14150.7150 58010.3710 4124.9396 30375.2535 64729.3126 12290.4544 8138.8404 3828.1650 18995.0647 3306.6939 10738.2118 5869.8572 8446.7773 10638.6281 9943.1823 7346.1006 6108.7893 12269.8059 14922.0585 19561.4675 14925.2016 2758.3659 5747.6826 8803.3454
Leu-Leu-Leu 1255.8496 920.2029 2452.9116 931.0921 988.5348 29765.1360 1291.4175 2356.0125 2057.4269 2220.7991 7488.4466 889.8249 1372.7323 6352.4969 1833.8626 1017.8660 1064.4279 1288.5317 2949.1869 1363.7711 2995.8758 975.3162 1030.5832 3889.6094 2936.6209 1629.6743 55465.6706 9524.9055 1195.2861 4457.4648 1503.5948 4897.1265 852.6845 50019.4336 1184.9955 7726.9235 1319.7556 1692.2979 6099.4062 2276.1562 1665.0212 1912.6307 2023.2474 1831.1076 1120.8923 1245.9695 1089.4762 1082.2284 1711.7191 810.2377 2195.5385
Leu-Leu-Ser-Pro-Tyr 2754021.3700 7739.4909 2500998.8190 168.6709 3327503.6370 4957982.0270 3391248.3880 3473846.0490 7539412.9850 1378665.1610 175.6547 62125.0451 4216162.9840 5663838.0490 10540.4836 1274209.7300 150084.6297 1439883.6410 1388270.3790 1689693.9590 1641079.1970 4786608.3760 2905815.8720 5720903.5460 47655.6028 503771.1174 74139.4959 5745812.9300 6162328.9150 1120723.8150 3826413.2630 4096614.2500 1441671.6660 23704.1568 53822.6375 1790362.8380 160.1281 4675145.6520 14576.1774 127.1736 27069.9567 1585738.1250 1628224.5580 1263609.1560 1449723.8170 6653890.2530 5672393.6550 6012961.2490 967961.5705 1737417.6410 877099.1275
Leu-Ser-Leu-Glu-Glu 56585.3147 56209.6468 19517.5222 50675.9138 9919.7197 6002.8733 34107.8943 11552.3039 396079.6619 868.5952 48976.1662 56025.8672 7717.7532 26411.3295 48523.5689 1165.8215 37986.2107 86241.1322 77706.9906 47120.7933 50300.4643 22506.5925 57624.7080 404140.8864 9427.0342 1311.5992 42422.0024 411038.4819 120458.8994 17554.3534 66966.1861 12796.2484 15032.7007 83978.8938 36504.5624 5160.4085 565.3781 14272.8318 2631.2628 159.6328 1590.1405 71074.8664 52781.3936 43312.8384 6598.8893 87553.9273 33710.5685 131253.1541 55174.0800 47852.8313 60296.2409
Leu-Val 63938.4084 32478.1491 19066.8108 37831.0125 6826.5912 3102.5515 1834.2421 4089.6764 19299.4556 31053.9190 18383.1405 4963.4672 3438.6589 33043.9169 6751.9588 26358.0216 1637.0599 6775.0615 23169.5606 6484.7284 16493.3596 80469.3466 3700.5565 22920.0829 21843.6175 21412.1224 6594.0751 26332.4055 53955.5546 3217.1353 34034.9304 59619.3094 8208.0433 10093.7939 10550.6254 12360.0085 12193.5250 17345.9895 11713.3687 5672.8920 8312.9332 16081.9902 5542.4192 8169.6907 10046.9915 12586.0451 22068.3478 27412.2265 2328.0841 8446.7301 6934.6283
Leu-Val-Leu-Gly-Phe 23500.5143 18488.0041 2347.7158 998.1916 4476.7801 5169.1603 24936.1479 2783.8244 48053.9274 111476.7126 4033.3398 3628.0656 3257.3696 87.3359 1342.3210 1440.7710 20586.1415 997.8728 7856.1035 16169.1963 7497.0035 5947.7278 37125.6678 403434.8104 3434.5197 1203.9533 6412.5464 28612.4336 26289.5466 146309.9055 52411.8162 33403.2024 147739.0381 29709.0063 11255.9803 35390.8011 4142.3094 797.4190 11354.4362 4697.0661 27699.2141 1451.7590 4240.9244 2761.9437 32600.5980 51002.1459 628.0227 26929.6446 13870.4310 3656.3397 48543.4880
L-Hexahydro-3-imino-1_2_4-oxadiazepine-3-carboxylic acid 670.9922 186.1217 866.7197 451.7345 104.6373 540.1884 491.6481 585.9846 148.7532 134.8097 211.4658 693.1998 141.6463 367.4403 663.7850 477.0814 1051.1710 898.7381 2311.1855 1012.8252 498.5272 830.0036 810.1105 358.6368 233.5272 543.6316 476.7301 105.2476 470.9050 122.3476 381.4983 131.8221 252.4786 145.6312 398.3953 440.2180 399.5949 362.4552 159.2434 440.7400 380.0490 350.6216 552.6631 113.9828 554.1349 117.8716 604.5132 485.1206 124.4947 427.9262 304.6352
L-Homophenylalanine 211930.4798 3551.7201 1343.5910 5231.4643 2434.8626 27710.0878 17794.3418 2504.7574 12462.7441 8621.1918 3833.5949 116.7376 13456.5736 134586.1835 817.5362 28703.9309 22251.3748 835.1488 903.5260 51175.9607 4510.2361 25121.0227 8851.4648 19087.7021 2721.4516 7567.6850 1269.2161 19282.0517 64124.2148 6043.8488 165541.2006 2926.5574 955.2435 736.2043 727.2085 1185.9392 4652.4983 70.0035 1490.6726 290.7855 2250.7143 1999.3263 1453.4997 385.4598 297.0470 36369.4897 81791.3778 184609.3516 1433.6654 1125.9739 32.5032
Lidocaine 4407126.1620 4382058.5880 4334992.6330 4041115.2700 4499141.8570 4144070.4520 4717583.2230 4454145.6420 4385585.0110 4050592.8180 4069198.3370 4148375.1960 4782224.7360 3768129.9560 4962416.2820 4496159.5230 4616760.8460 4101094.8880 4027580.2710 4792836.9250 3940035.4740 4471430.1320 4883665.3400 4333509.9790 5050488.4280 3932792.3630 4669088.7990 4042400.2450 4563121.5660 3392624.6900 4039782.2610 4428101.5750 3335079.2180 5061230.4740 4588268.1750 4235542.4850 3476070.4240 3932564.5100 4047603.9960 3855157.3420 4201702.9920 4068449.4960 4600809.7580 5077503.5210 4938365.1630 4798890.7440 4629580.1030 4835584.6500 4141288.1180 4443105.3520 4510097.4700
Linalyl benzoate 2395.4684 1393.6454 2403.7933 2031.3925 1860.3169 2919.8064 2175.7380 892.3592 1690.5278 1816.0154 8396.9608 2645.0270 2028.9440 2637.5459 2286.9097 2243.7067 130.2847 1826.7143 1622.1495 2232.4633 303.1067 2127.4368 2509.6721 1716.9386 203.7152 1863.7652 2594.2569 6083.4066 3013.8576 140.5830 651.0189 343.2472 3003.4920 9298.4296 7484.1399 2482.5293 9663.7957 1662.7834 4863.1501 1007.2301 127.9678 2195.4645 1177.0578 1579.3406 2011.1348 1343.2548 2966.8623 2293.4870 1549.1086 4931.3108 481.2556
Linoleoyl ethanolamide 58788.8280 26842.0914 5225.3103 680.1062 1188.3933 1851.0971 3577.1226 34571.2614 20615.2385 1368.1455 22983.0380 2288.1779 14194.5681 44411.6045 782.7904 8424.1943 11667.0603 2275.2934 31188.3447 8108.8323 30433.6490 32527.5855 2646.3780 58075.0145 29939.8207 55999.1505 20427.7540 111645.1394 264374.6436 29003.2018 909.3878 53172.9206 32223.4483 43687.3110 31681.7429 168.7829 47225.2836 1353.7823 30651.5041 17879.8100 41724.6151 31151.7780 1214.1946 30359.4194 12862.9060 50182.9783 22197.8791 3757.3209 29133.8669 2147.8823 3019.1680
L-Isoleucine 785088.3362 284984.7888 104136.1527 252224.8549 245948.5946 84365.0777 344955.8887 497001.5452 369804.8159 190091.6717 237929.6548 130279.8601 332532.4173 126301.0168 368587.2092 825534.8496 144577.1065 201942.4082 317481.0516 673437.8234 535361.5443 212514.7095 719207.4288 865937.3644 609288.8613 915063.0759 425800.5088 174530.5421 991607.7594 255223.6043 170622.1151 864989.2660 594395.1948 175862.8391 329091.3584 637312.0199 79498.3589 569324.4888 356374.9065 356685.4171 771528.5239 343627.0800 482004.8676 670275.6978 111914.1294 680522.6552 547222.3503 946070.0500 286112.7724 447544.5953 111451.5429
Lithocholic acid 1725.2985 109359.6874 1574.4468 3682.1142 14373.4831 16841.2531 16215.5949 48321.2474 25426.0663 71978.5504 10971.5212 128.9473 30157.4620 92185.7772 317.5517 45389.0692 14051.0327 21805.8374 3745.1845 887.2325 45898.6165 112318.0803 16670.2230 3783.5192 98887.4973 4552.2518 8012.3201 199426.7638 376.6297 15804.6822 37520.3354 3981.2815 142235.7508 31563.3218 1786.0945 3466.7182 43797.1474 20793.9970 39597.0860 20614.7618 25424.6684 62495.9534 5036.7650 44782.0959 16091.2038 3832.1395 4020.3693 10444.7876 28145.3887 3594.1736 10668.8189
Litseakolide E 2158.7931 3171.7850 1830.6835 976.3626 2055.2002 761.9591 1805.9165 2485.7831 1777.0200 4058.5175 652.9095 787.7722 1447.9154 1193.1512 732.1432 2125.5517 3057.3924 183.8169 1941.6751 1950.0824 4073.5553 877.7478 2050.0751 1406.6345 591.4594 717.2622 4023.4258 2916.3845 1156.2742 3812.0136 2274.7488 4347.3575 2501.2500 2309.8893 1238.4872 2415.1026 2310.6483 115.1692 7122.6777 1715.1926 10423.1210 5282.7651 4579.1151 1670.7569 2653.3476 5811.5830 1104.0925 724.2463 498.8160 1049.2195 625.4515
L-Methionine 13828.9161 5639.4083 7412.1448 8618.3549 7243.9895 2889.9775 3037.3427 9527.7743 11576.0554 7665.1019 6133.0813 3840.6002 4772.9520 3412.1614 13890.9824 12410.4458 3894.0355 5793.8836 4551.6235 8967.9328 5900.1051 8539.9680 6383.5146 15052.9930 16462.9453 17332.4888 8676.2713 4181.6686 20282.7829 4615.5141 3320.2189 18379.3709 10729.2170 6678.7288 6916.8881 14586.3021 2146.5826 8745.4693 7136.6655 9113.8408 11225.8549 6478.5246 11999.2494 14340.5733 10215.4636 15029.5437 11422.5728 8384.1645 5782.9988 9897.5021 4692.5547
L-Norleucine 4290.7445 534.4600 23333.5671 1207.7932 146.1427 25028.7731 17343.2646 220.1109 8729.3952 576.6028 994.2661 5852.7526 34.7707 4096.1794 9003.3102 22060.8411 374.0984 803.8807 2176.4078 23725.5276 555.5649 26680.1796 453.0905 877.0085 1373.3246 867.2652 2201.0047 1012.8922 953.4065 1076.7029 35058.1519 818.0955 6887.8236 14867.9851 1806.2349 2621.0423 8461.8978 1435.0859 1555.5212 1132.9955 754.1553 1322.2397 968.2396 1038.8883 1407.6414 22888.6835 25214.1535 29370.1058 1419.8852 1397.9599 32023.5839
L-Norvaline 4445.2133 17812.4783 40786.8103 4659.5480 3343.6590 28741.5612 18225.5987 22641.2154 15362.5498 8453.3596 27581.8581 3397.2895 3105.4454 29698.6426 2439.4514 37826.3982 3180.6741 11198.0565 24898.5146 48752.5084 7950.9780 53138.5235 2806.8780 11297.0577 8378.2362 10266.8313 19949.7887 9150.7462 9463.6567 16929.8500 83571.3009 7948.5742 28094.2351 93692.6699 13162.5875 11933.5468 24790.7032 11820.6969 22576.6827 11516.4263 13608.5200 17728.3372 14102.5781 13869.5523 7289.1195 57886.6371 29877.5496 37645.7820 15794.1240 14251.4052 62224.1009
LPC(17:0/0:0) 6907.5387 7949.7444 7795.7659 4041.0977 8805.9240 10079.4886 10179.0262 7856.7214 7802.5767 8447.8190 7893.3728 8264.3295 9817.2688 9380.8755 7627.7179 10123.5265 9464.3258 7510.6216 6678.6625 9761.3110 8118.2807 7880.6046 9662.0249 16088.2650 9135.6061 8686.0985 9292.8938 9990.3476 9983.4855 6210.6176 12092.2457 9989.6886 9856.1188 10310.8610 7172.1465 9728.9870 10324.4516 10522.3679 10681.1225 10458.6073 10934.4502 9112.6442 9260.1197 9943.9519 9842.1050 12003.2298 13158.6014 11816.9268 7723.4749 9421.8402 10554.1256
LPE(15:0/0:0) 3263.0057 6185.0304 5642.6107 3747.5784 8170.0802 2345.4982 1691.2216 6326.7743 3307.8218 3697.6467 3546.1588 1507.7189 5680.3113 1084.9743 698.4438 1647.8106 3369.7838 8530.6194 7437.0356 1207.3195 1113.7824 5401.7716 383.2537 8332.2679 4855.8899 4701.4755 12853.9008 8309.4225 1711.0123 3563.5605 2441.8449 4255.6908 1868.6787 2380.0181 5128.2669 4672.5603 9457.8044 7093.3948 3850.7568 3032.2482 1548.2306 4572.9820 3467.1269 8758.7177 2449.3495 4368.0170 6661.7572 4543.0679 9413.5953 5716.8433 3759.4479
LPE(16:0/0:0) 13026.8095 30830.2849 30439.5528 38801.3533 24527.7625 21038.5959 9025.3869 28151.1216 24175.4068 57394.5347 13882.3986 12379.4325 24053.2657 4000.7644 5759.5493 8498.2417 20029.3706 70369.5813 21954.0023 31631.8681 6572.7716 70006.8974 4248.3129 21694.7513 16744.9397 51919.7417 36209.9814 47704.0367 13518.5426 21084.1593 17132.0383 20113.3796 6413.1148 16163.1834 45588.7782 30645.9559 54212.4792 58206.1315 21065.2419 28878.9636 10467.1805 33971.3611 26065.9418 88210.3938 26779.5643 40160.6539 29507.3753 29379.0651 68955.4612 70629.8149 21519.4537
LPE(18:0/0:0) 1296.0988 584.7431 1015.9951 1011.0044 1067.5753 710.6420 165.8269 1497.5857 677.8061 4954.0422 1161.9595 867.1542 3584.8380 1416.4495 946.5757 1136.2013 890.5638 156.2898 1526.5650 186.9865 147.2989 1696.0579 864.8962 1543.3380 1513.4687 2904.6922 1280.3740 1785.0225 614.3060 970.3769 434.8747 952.6567 1210.1795 595.0612 1575.8158 1891.2713 1069.0209 1197.9527 153.0123 1090.5597 1260.0927 680.6128 2111.7972 4948.0651 584.7282 2927.3044 1046.3017 802.2972 1565.1370 1082.5300 145.1368
L-Phenylalanine 50730.0347 21824.1293 14098.4287 18739.3175 19597.1227 6644.3576 6411.5574 29556.4857 40946.1525 28620.4191 18039.0225 14296.7882 30012.2652 7016.7854 28879.2578 58252.3502 23239.4989 25761.9846 25968.2649 22795.3167 22246.3161 32638.1589 9041.6020 84559.8736 59170.5872 86103.1164 43356.4837 23172.0382 94827.0575 13831.6027 20292.2312 75835.6920 22345.5008 10419.0786 29311.3793 34020.3358 10649.6984 47104.6110 22781.1113 20573.9051 29197.5626 74860.7098 23836.0096 33936.1690 18545.7697 52717.1770 39020.2250 17714.8134 18772.5771 47022.8028 12824.1962
L-saccharopine 729.8230 805.3020 1909.8450 844.4009 1541.5421 106.7220 369.3411 510.6683 807.9757 851.9639 731.1607 381.7078 220.3115 659.4886 2097.3292 147.8344 1159.1079 933.5528 735.3814 1055.4436 601.4407 450.3659 440.4236 725.7693 661.3690 709.8082 671.5968 657.7374 725.3488 807.0955 522.8056 783.9826 769.9740 992.8153 193.6636 836.2412 675.0151 784.7098 694.3308 754.1941 669.1552 670.4833 833.6413 816.6631 1679.9900 563.6371 689.1026 921.0795 749.5115 699.6879 946.0178
L-Tryptophan 4239.1431 1869.6202 1453.9736 1613.5927 1878.8439 1666.9424 2248.6892 2737.2075 3667.8953 2421.2442 1466.4251 1186.9453 2798.9227 2127.4005 2495.3464 4951.2990 1811.5411 2563.0820 2386.0646 1995.5122 2069.7132 2825.9286 587.2531 6877.3737 5144.0171 7291.9461 3983.2514 2275.7262 7548.8879 1327.5710 1729.9976 6306.6321 2250.5354 1031.7840 2642.1527 3147.6986 804.8613 4346.4943 2026.0835 2077.0616 2605.2894 1485.7131 2101.1935 3168.1674 1732.8871 4290.8239 3366.4352 1573.2431 1855.6620 3919.1395 915.7893
L-Tyrosine 38696.9511 22158.5738 14020.7150 33490.4015 25398.4059 16818.7146 16186.5797 33839.9268 33559.8632 22393.2035 26563.3722 15911.2463 15489.7452 7346.2612 35700.6978 133939.7323 11395.2596 21812.1296 15953.0431 25777.9133 29074.7054 16526.1644 10986.5219 56524.6329 35703.3744 32967.0576 27306.9857 10234.6551 65230.7451 29657.2186 13183.9715 54809.7555 32895.2062 15457.1302 21157.2931 36124.4107 8997.0500 33426.0033 18587.0047 31267.2847 31175.5267 20142.9179 34568.9132 32674.4340 20137.2213 40954.8843 30007.0779 31495.1986 14031.5062 28514.6237 8822.8596
L-Tyrosine_ethyl ester 4641.8804 21997.6778 9696.9565 30920.3080 12432.8219 5421.5103 9000.8506 13523.6571 8723.0304 76082.4409 9757.4700 43894.5299 6842.1892 2707.8751 9682.7976 5237.4740 25743.9431 27336.3027 48717.9295 2474.9566 139479.2085 13479.8534 2165.6070 18838.7837 19216.9600 3387.3097 126534.4417 4379.4869 5487.9574 37284.6086 3452.5379 5955.9338 22357.1417 8129.1686 17912.2145 48669.3958 26958.5809 13235.8860 41181.8969 97465.6825 69086.0611 101658.3810 82666.0417 43439.8022 8288.2135 8988.8540 11165.8576 4416.0377 56845.5616 28877.9199 24617.1104
Luciduline 5240.0167 10267.8588 3786.7400 4287.5290 3417.7749 3026.6958 4048.8710 4387.7128 5052.8900 2125.5287 7871.9838 5353.1541 4214.1257 5671.0453 3470.6985 4159.9693 4897.2237 261.7615 17315.2383 1419.6413 1589.8785 3955.0414 2602.1857 6216.9645 5235.0978 3795.4955 4023.4222 4785.9746 5262.9639 4132.5455 5439.4748 258.9268 297.8012 1982.1080 5486.3208 2745.8889 6325.4975 2540.8474 7874.8058 4423.7078 6972.5214 3439.2899 7017.6993 18380.3728 3655.3032 3117.0037 2684.2660 3046.1073 28082.7159 271.8922 559.7873
Lucigenin di 1062.0810 93.9816 1003.2702 1563.1663 267.6733 916.5278 140.7400 2519.6627 3282.7365 703.5281 180.5945 1212.0180 2220.9934 102.7279 2053.7476 4752.1548 1448.9113 306.5556 598.1006 2318.5175 110.9873 3469.3047 116.9313 2984.9842 2599.3029 1175.8124 419.3505 959.1741 113.4037 267.7737 1499.9993 111.4683 1411.5715 2741.2518 623.9747 30594.5377 113.1724 2500.1600 94.7131 80.2109 1285.5891 542.8532 107.9964 1695.3821 1776.1378 2811.6948 563.0322 1268.8224 113.3428 2981.9795 1663.8239
Lupenone 56404.0995 504.1721 43419.3107 121.1329 68941.9005 41426.3806 91535.1578 69163.5260 111.6181 1312.7826 22547.8219 44217.5375 260310.0742 1830.4768 55669.6507 10952.0596 74885.3497 460.6355 18284.8527 84141.6845 895.7513 837.8904 56899.4685 88488.9193 105070.3260 91415.3607 118144.3462 1160.5990 697.2167 2134.4370 1641.9761 110264.2650 592.2436 86414.4217 78987.8855 63828.8695 48869.5834 80153.1546 781.9480 15848.5921 10329.5316 24993.7399 189.7592 51565.1597 86278.1917 105599.4802 798004.1912 678.7826 70902.4766 56610.5911 67306.6524
Lupeol acetate 11878.3555 13553.5225 16405.7747 12131.2880 16004.4666 14310.6129 14953.0755 13671.5866 16042.5084 17606.4039 13200.2741 15366.4413 13243.6407 13133.1958 13256.2731 13270.2015 12899.9083 16788.8048 12384.9316 12897.4182 12305.6281 16348.5260 17240.2800 13971.1284 14303.3334 13604.9439 13536.4961 18607.9021 14723.0708 14132.7378 13543.6999 14633.5073 15387.2201 16192.5200 13887.7665 14194.5497 14793.0156 14329.1630 14185.9142 14295.9557 13446.4284 17895.8166 14601.4796 16152.6042 14126.2747 14323.4178 14164.5925 13916.1659 17190.9776 13977.4069 14061.3805
Lupinine 4271.3471 78268.4564 2117.3972 1448.7260 2426.4479 752.8851 555.2928 2787.9038 135155.1709 93041.3543 267059.6792 295.4042 89470.0673 478402.4413 10191.9711 344.9072 1280.1033 327699.1907 242154.8205 420.3221 14817.5192 122321.9133 79692.9537 142917.4365 130867.1497 21457.4164 11808.6704 352789.3290 69684.9035 497.7230 6866.9821 8131.3190 43910.3724 16939.3069 251817.5081 52527.5180 425993.1939 122166.3052 520266.9171 763165.3149 8984.1132 298244.6585 577599.7587 144868.4851 43431.2244 635.3952 22318.7195 51207.7924 1177426.6610 86434.6538 80131.6700
L-Valine 16684.1286 9771.8895 25036.6399 6056.7988 5635.6872 14514.2764 42571.7517 9466.3645 5283.5931 5986.4655 5995.3296 8745.9072 2431.1613 1549.3112 15033.2511 33614.7791 2220.0031 5741.9380 8102.0943 21941.2989 6321.6255 9464.9623 27340.5172 18672.6822 6287.6042 10482.2675 5204.7843 3938.6518 17578.4613 13032.1331 6788.7022 10152.7285 11316.7385 6558.2296 3987.1233 12653.7401 4415.4916 5627.7261 5303.2045 5462.7627 14030.2532 5054.5605 19547.7568 14033.4503 3795.6229 20234.5339 36129.7018 49991.2521 9019.6923 8421.5833 25021.1008
Lys-Gln-Ala-Gly-Asp-Val 40557.5667 70033.8278 6946.3517 24704.7383 639.7557 27902.3807 25246.5361 1150.3793 36776.0527 84397.0465 61073.2348 31970.2064 33185.8778 59772.7821 22620.6929 31326.8545 41515.6299 52190.4197 88490.5768 32070.2238 68764.0706 38937.0875 30265.8384 6582.7416 88227.5178 6712.4548 28819.1073 50227.7056 37467.5996 9464.1726 32469.7134 33059.4699 24663.3873 33569.3790 41812.0444 105162.4009 88981.1874 40494.8774 105355.4317 92530.6073 118094.9701 41757.0809 78780.7532 87157.8248 3372.4483 30820.9334 43747.3826 28987.2127 110388.1947 97844.1277 19191.0270
Lys-His 781.7929 9847.4214 1967.7348 9952.2736 913.2036 2664.0974 2539.2132 12551.8054 70934.5775 8954.7398 31719.1092 226.9711 832.3979 623.2767 7503.9073 2658.9239 874.0757 59653.1601 20839.1569 4304.6966 840.0204 11020.6661 104.2641 12449.4058 11858.0138 61029.1852 2295.8048 7655.3112 2366.8374 1791.1335 1774.1935 944.3757 9462.6578 4253.8788 6372.3763 68920.3062 6825.2831 4517.1473 670.6465 1857.1873 371.9922 2187.3362 2775.6585 5954.2983 2357.6470 2157.0591 309.1797 2608.5400 10340.7625 435.5888 19454.9372
Lys-His-Ile-Glu-Glu 130.7176 5273.4210 1551.4296 5469.8457 446.8164 1589.0852 1094.4301 4744.4007 26562.3406 5942.3204 11708.6976 1248.1481 2854.5471 81.6391 5070.6536 1928.9438 495.5988 32877.1771 11606.5434 2119.9524 1350.1545 5777.3668 1298.9245 5976.4668 5753.3182 19477.1087 213.1948 6642.7910 1216.0524 1478.9350 595.0684 4532.2823 5095.2129 2530.8877 4942.0218 35408.1550 3754.4484 1543.9171 144.2953 479.9797 1935.8522 898.5247 467.8683 5021.3936 2376.0354 1579.2860 58.5123 1853.6485 4117.9374 2195.2232 8230.2618
Lys-Ile-Val-Lys 19177.9534 17684.1001 23289.3021 18956.0067 23344.5766 20663.1176 24843.3793 22490.4667 23291.0591 23917.2107 16867.7709 20085.6610 19150.0059 16537.1965 22475.4403 18274.5328 18770.0821 18654.5363 19924.6588 21841.2095 16795.4925 21231.6027 24589.9961 22770.7035 22613.6756 19229.7039 21084.2799 23494.8943 23748.1597 23723.9434 22203.1615 25003.6461 26290.6737 27188.4388 23114.5438 19208.0071 23820.9813 20750.4905 18712.1898 17595.6654 17488.7911 18685.5601 23624.6386 17222.9948 20209.9326 20983.5330 19332.7350 20309.3230 18669.0498 24822.3733 22673.9288
Lys-Lys-Arg 9752.8333 5173.2424 1019.4355 24808.2821 1107.9473 2440.6775 18654.1234 708.0073 3212.2042 125.8192 17957.4572 12596.1168 204870.2466 2574.4209 18719.6615 4909.5507 4338.1951 14940.8843 1457.7763 23544.4053 127.4643 110473.5104 25835.3326 23316.1665 24727.3423 29999.9309 1501.7534 809.5340 9282.3594 470.2439 68686.7532 24252.3599 21010.9176 22443.1905 849.0442 17927.0147 367.3276 22537.2693 23201.8604 627.3032 117123.1939 47193.8534 2979.9116 25428.1373 1204.9742 28768.5693 11871.7053 22046.8413 18192.8071 21172.2444 21982.0996
Lys-Lys-Thr 277406.1984 663578.8051 692064.7887 314075.6674 525731.1673 476145.0526 112283.2463 431623.9540 670987.8021 490326.2741 593290.1321 580797.5749 656389.1701 298250.7001 726956.6623 497398.1790 408703.6930 677649.9059 486790.5736 761717.4426 453316.5897 487501.5290 458497.6930 538354.8302 382825.6175 160574.0871 700485.2166 279094.4355 320675.0069 818974.0650 238561.5267 470238.3345 495811.8711 521600.6629 343484.6158 797770.5520 358073.7077 448594.0077 425618.2055 488039.0591 382564.4737 402364.2767 224713.2215 271290.2172 585156.9444 407946.6765 708517.7949 820179.8735 545754.9085 121826.2008 675622.6129
Lys-Met-His 327711.9540 378563.9291 364457.7186 697433.9464 348442.5303 426312.5176 363166.8918 334823.6918 435781.7387 489325.1225 362274.6704 365330.7613 306245.0035 495989.9257 367644.9604 408015.7353 376625.4604 329666.0261 575122.1730 363426.3297 329226.9073 377270.0370 406795.5616 327822.1316 295587.5336 334147.3559 398606.3356 345593.0109 452535.0421 374056.4247 421721.0270 695227.0285 295800.6404 422372.6974 353645.3638 370438.2006 300624.4020 373550.7089 263782.4953 278259.0873 226641.5476 365803.0081 423270.9999 201278.1592 481325.7584 432911.7578 325703.1570 351832.1889 382609.1949 355398.6191 373994.5558
LysoPA(18:0e/0:0) 11662.7460 827.2119 46505.6405 8961.7867 13758.4008 6241.3077 10444.1609 5411.2892 6421.6289 11678.3823 2917.9017 5650.5101 12351.4003 9742.6729 1553.8887 9460.4070 5700.2338 1786.3673 3675.5030 2229.9703 3882.3899 2592.0113 19471.1764 16209.3563 15201.1996 5944.3919 7882.1153 1601.5349 15444.8985 884.4627 39012.7686 1642.7843 4870.8731 15196.3035 12316.2733 2558.8721 7134.8728 3160.9776 10053.4657 2198.6056 8710.9247 6580.1746 3575.4958 12724.9292 136338.9603 7907.4319 3484.3178 3383.5226 6731.3923 9650.6493 5233.4787
LysoPA(19:0/0:0) 19249.4680 2954.3035 46154.1766 20000.9506 3747.5388 17366.9516 14308.0126 68795.9793 21683.6080 72374.2307 14782.0950 37419.8838 1158.7113 19937.3734 12462.4511 15429.3884 18329.4013 13679.9257 15731.1501 20692.9008 681.7105 20125.5333 40085.2575 17675.9366 59619.2273 35726.4836 15266.2970 3219.5298 80297.3049 2880.1054 18730.7443 34763.1436 14210.7015 6012.5209 37205.6849 23345.3966 11824.3031 9484.8067 2172.4795 13228.1867 22005.9526 8239.0604 15483.6156 3128.7030 26404.2328 2866.7508 6655.0675 32705.9293 7914.1592 54625.0249 12834.0237
LysoPA(22:0/0:0) 2417.2198 1178.0613 1456.4927 614.4142 1580.4720 12534.6704 3727.4807 51632.2156 1884.8869 2092.9947 5052.5923 1984.5392 1020.8662 528.6823 1466.1043 2347.9461 4713.6087 9125.3771 5718.0414 2119.5524 2760.6022 345.6872 4931.5134 1692.8067 7675.8211 6205.8348 4097.5460 591.9425 3520.1580 1610.2595 17272.2059 6013.3040 17565.3858 3511.9863 6988.6526 5315.3310 2996.4149 9523.5234 3265.0350 4863.8286 4898.1967 1669.1656 23131.0855 3705.4493 331.3159 3981.2070 13284.0297 3266.7627 3698.2058 6022.8901 3520.9197
LysoPC(18:2(9Z_12Z)) 15618.1618 772.4269 8056.9289 391.7932 333.1735 7350.7436 7616.1013 15003.8789 284.1393 486.7107 11400.7295 783.8538 58146.9701 16675.5153 12857.4250 9360.1512 11754.5784 968.7632 15012.9708 11413.5732 18596.3663 33596.8851 11311.3073 11240.5863 428.5408 12933.5358 830.2983 13487.7123 317.1749 15326.3777 36971.6117 15023.6361 15619.7382 3082.5202 7475.0914 3546.8361 15379.5505 2075.7916 15802.9376 794.2945 19368.3630 12386.6203 109763.8826 19582.3501 2147.1193 1251.5904 3617.2559 2195.7616 18213.9860 14825.5353 10099.3404
LysoPE(0:0/24:0) 553.9889 2174.3891 2669.7636 2630.5320 221.9264 4956.4109 233.1529 1644.8020 2689.8578 1003.2374 3314.1912 1958.3249 2514.4384 2601.6032 226.1945 2788.8719 2154.3763 2969.8799 2423.5259 829.0764 1587.4130 3102.3992 2239.7861 3888.5653 627.3562 2661.1107 16667.2555 3597.0659 3444.7373 248.5815 593.9441 2653.9933 2739.1863 12381.5249 3127.9571 1038.8220 4498.4529 2685.0733 2619.0737 542.7035 897.5347 2789.8349 498.1713 3232.2907 1612.8158 2612.3518 2917.1749 2507.9242 3532.4257 3127.3600 280.5647
Lys-Pro 62042.5721 684.6564 70743.1977 35421.4133 3000.0713 54430.9493 62301.6434 68264.9625 1308.1086 1683.9962 107.1218 90599.1699 310.7733 106140.9404 89999.4326 60279.8715 67465.6131 650.1743 57214.0438 39778.9424 381.0280 108.7344 103724.6077 113673.5749 105821.8885 16108.1698 70085.0498 82849.4159 155.2299 61821.3509 82059.4820 5134.4022 94839.9998 106058.9867 10698.1832 70180.0474 1940.5795 1414.7755 49560.0627 59.6161 379.4457 492.6034 493.8954 1037140.1520 190.6216 58554.1962 30877.8687 556.3971 18904.9292 49052.6839 79523.7458
Lys-Pro-Thr 4229.6303 2867.6371 1981.1422 1585.9062 1306.5479 1717.5944 1659.2387 1647.0275 1960.6381 6630.9853 1693.0625 1606.1912 1868.6956 3290.4655 756.6273 1989.6992 1420.2869 243.7985 1652.3967 614.3455 1019.4627 2024.2457 1573.9900 4403.8965 3396.8273 4282.1867 1278.6751 2770.9808 5660.3031 131.8927 3356.1110 2376.0790 2634.8878 604.3975 1226.2794 952.3336 2119.6093 2168.9150 1052.6237 1779.4853 1260.7340 1797.4702 1658.2909 660.4785 1594.8981 3809.0482 7140.4684 2343.3681 1805.2440 613.6576 234.8098
Lys-Thr-Lys 13366.2278 74151.6205 63989.8739 10710.2399 32647.2157 23543.5139 1323.3919 25270.3898 60808.1486 33703.8356 59881.1764 47977.3190 66219.1162 12455.1856 70410.4977 25286.1846 18022.4015 66008.2391 48824.7561 84885.1530 32848.7922 35203.1452 22982.2212 42346.0829 19329.8978 4973.4811 76459.3891 7197.8321 7910.5790 87921.4436 6795.6251 25119.3658 40314.6530 32575.7309 11321.3120 103081.0712 22459.6363 22345.5143 28174.1601 34864.0421 21434.1469 27020.6592 5668.3766 18081.9124 39827.2258 13956.0758 49778.0734 98523.3936 37183.9084 2542.2800 61292.3003
Lys-Tyr-Thr-Ser-Ser 159.7535 431.3266 432.3626 168.2106 62.5082 364.6130 327.0892 1815.7526 5281.0669 1205.2043 2570.5059 815.4416 161.0141 5365.2346 86.9956 786.9525 351.7160 7681.9747 1822.2254 183.1180 759.7420 821.3509 300.7633 266.6092 197.9782 22837.5405 1065.1994 4117.4637 749.9469 9973.2594 6100.8289 9026.1466 750.1133 1137.6216 1568.1136 12292.2344 2193.0875 709.2696 325.3547 8564.7609 789.2628 434.7709 619.0332 789.7756 313.6356 364.6640 401.8063 297.4233 2598.1196 2196.6191 1818.7881
Lysyl-Glycine 5476.2162 1855.0550 1945.7488 3750.5194 7620.3851 898.7349 8518.7226 4748.3372 5324.7477 534.8531 483.7575 7863.1907 5281.3789 1071.3419 2624.2102 7146.0059 2821.1015 5659.5151 5230.5470 19980.7795 4506.3257 2115.3488 11058.5211 3425.7979 4448.0424 6363.4287 1502.5438 7125.0510 4865.6499 1771.7747 1808.4256 9306.7365 3407.3726 5223.7848 30914.3350 4797.7413 4490.1820 5467.5390 3559.1905 2381.1736 1100.5464 4269.4490 8184.0187 1884.2401 38965.8952 1899.7562 1638.7355 7189.3616 20695.8225 2622.7163 9192.8954
Lysyl-Tryptophan 7225.2364 13721.5777 4993.4875 5797.1177 1080.8174 4080.1027 4417.8957 3116.7273 6432.6993 5709.4233 2925.3364 3631.6165 5528.3165 9133.8348 168.5688 6225.3395 8430.9139 3128.6843 12885.1538 5509.7833 28217.2579 5987.0571 5286.1497 14578.0698 11121.4312 1445.1541 5274.8735 6420.4949 7288.8165 2611.4565 1357.4046 6565.3613 4431.1354 4234.6563 12478.0370 7982.8679 8656.6533 6616.6945 20003.2158 17025.5121 20768.5764 1476.8796 15538.3061 12112.6712 5180.3509 7623.5586 7261.2385 5393.3662 38166.7630 12218.5540 4707.9098
Lythidathion 60069.4187 68178.6946 61706.3116 69774.5096 72655.5226 67675.8669 68737.1199 71589.2914 68729.4862 66585.9562 70370.6418 62085.5340 68482.0802 70465.5332 69331.0838 76402.0818 64270.1806 62349.5275 61143.3424 65756.4807 66465.3912 71228.6715 68440.7548 77753.7114 80668.2625 77489.9974 75902.7516 72433.5313 79808.8598 79001.7474 78633.1970 80402.9739 77197.6165 78280.6321 75522.2087 80112.8296 79847.8313 74106.1561 77571.9148 81548.2087 75978.7380 76652.3057 77074.6354 75613.8401 76027.7502 76502.2356 75455.7677 74463.1412 69976.3394 76920.9391 73519.2325
Madecassic acid 2970.5282 11783.7209 4952.6814 4000.9480 3424.0154 2828.6055 2078.7763 916.0775 8779.9536 11169.8953 9534.6423 570.1995 16166.1751 9519.2658 5052.7573 3679.5018 1004.8277 5943.6312 6106.8826 1142.6870 9554.2586 2530.2542 3305.1139 896.6174 2668.1191 10616.6894 6696.7227 5359.8283 3113.2599 5921.4996 11037.5660 9437.8841 7170.1220 3106.0299 11809.7779 2191.7139 5336.3419 4941.1765 4946.1360 3793.7754 3385.2842 5167.0351 8166.9059 5385.9249 4417.5570 2959.1029 9870.6352 2305.3335 5419.4568 5469.9080 1307.9523
Malonyl-L-carnitine 19693.9263 10248.8738 14734.7363 7135.6582 16178.0708 8925.1138 1760.5431 13354.9957 21151.4419 18017.6659 15856.9169 7583.6381 15300.8621 15133.2159 14389.0334 21283.6312 11642.0118 8129.4733 6718.1417 1417.3912 2110.9018 3693.1403 127.1410 44995.1608 61976.5329 25584.3816 17651.5050 25430.2131 26951.7054 19637.7327 15421.0196 26139.4825 28286.2145 20437.6335 19061.4559 46339.7680 25687.8955 13865.8844 17420.4001 22464.1239 26239.8229 17398.1689 18707.9888 41565.6558 19380.7135 18920.0033 20687.8767 18308.6243 3884.4597 40833.0114 3204.4022
Mancinellin 66475.6362 1182.2723 22318.1819 64889.8290 47341.0061 28934.0648 49721.3061 64140.7232 7602.4483 169176.4353 79903.9209 104.2633 66332.7769 78965.1533 13191.4752 44763.4738 111.3543 545.0868 4210.7312 54447.0853 998.5324 54847.4765 670.4940 219731.3849 433220.1490 6157.7720 26027.4618 23945.2570 1081.1440 23703.3207 73318.9186 61242.7840 170918.0749 84889.2524 45116.5259 165153.5969 117613.2748 835.5805 315574.6974 94858.8388 275004.6038 1617.3843 56300.0257 197904.9933 1154.6925 60408.7656 73274.9936 52087.2023 2021.6787 2950.9103 29362.5109
Manzamine A 207290.1635 834436.0243 2619.6485 203593.8717 220435.8625 140444.1745 175589.9258 920.5702 3377.2378 1130794.7710 376025.5298 17997.6541 174107.1694 300291.3859 16169.4763 215187.4001 135415.3398 112086.3717 986298.7602 174003.4577 1773670.1910 1843.4732 108733.8496 133897.2755 3509.1577 250949.2772 223010.7344 3271.3396 158980.3077 163169.9882 9322.2182 148232.7241 284643.1619 432.3116 197676.4663 616304.9793 66974.9934 209751.4429 1044484.4470 235937.5420 756202.6937 71742.3171 178031.3550 168876.6771 17364.4594 185604.6232 227444.8818 105205.7128 1033534.5420 152335.6899 190468.3764
Menatetrenone 8281.4640 7696.0562 7101.9902 7468.7415 5942.0756 3925.7897 7075.1318 24973.9348 178.2731 3151.6460 7124.9223 762.8248 9693.1207 10262.0647 4699.4846 911.5673 5517.8887 1540.8861 760.4345 4415.4003 8596.5630 6450.4830 6522.8435 8847.0988 7688.8483 16900.7563 1181.5597 18686.1682 3406.9824 1538.7970 10839.5498 9350.2797 6148.3779 7754.9035 1016.9842 71081.1320 13086.4550 848.3402 17117.4284 35765.4806 10217.3568 1888.7092 15056.8280 2132.0671 414.6099 980.4424 10463.4697 7974.3000 379.7307 1566.8213 4379.5750
Menthyl lactate 4689.7565 7473.0202 14526.2997 14091.3369 2649.0604 8169.6799 6847.1967 20900.0284 13457.0500 317.2090 55633.3901 3509.9258 37488.3915 3584.2502 25357.5452 9362.3025 41901.7608 44516.2494 12438.7223 6841.3897 22449.9066 16648.0409 17091.6672 52021.4077 19985.9827 24559.0928 9342.7278 27683.4670 17200.9108 17922.7558 7676.8094 8814.6348 20719.0177 21116.5827 17277.2073 330.7911 5860.0860 1769.2166 15476.8592 18379.1797 14111.9096 2599.4430 19783.4458 15463.5133 256.3064 26364.6311 450.1992 14336.0771 3640.0414 16405.2072 135768.0909
Mequitazine 1617.4735 2984.3850 2738.1844 1257.1368 3212.8252 5059.8209 1972.9353 3987.8980 9121.5403 4786.8082 1009.0588 1187.6088 1963.0428 8102.3848 2949.1391 3042.5034 1834.3755 2710.3430 2698.3688 1689.0588 6255.7511 3160.3853 1684.9424 10448.8461 1092.3185 2456.0331 1365.4267 5514.7998 4269.4947 14406.6723 10279.4508 3520.5117 7483.1175 613.2076 2146.9633 2337.3189 3149.6371 5827.0756 3041.7788 1063.7405 5963.0603 2844.6677 165.0636 2754.9664 1576.2494 7460.1014 5947.8661 6206.7276 4262.5729 1344.9752 3854.2891
Mesoporphyrin IX 29954.8084 316807.9574 29231.5344 10148.8147 1337.0732 28338.5350 33844.2608 2804.0164 3231.2723 4398.0117 13600.5203 3420.3380 29440.0433 36873.3732 1457.1878 4115.5507 4625.5573 43290.8593 12491.7178 21143.9805 21907.3138 46856.9231 23414.7276 13173.4300 50954.1934 41276.1227 44996.5963 43690.5368 28397.7305 2426.9480 38768.5848 26928.9366 67920.4281 39949.3453 37849.6904 9472.9733 79737.0250 2185.8010 276809.2764 1920.6928 93455.3359 14426.4575 43910.3971 5594.4639 19068.4938 24720.6858 30055.4028 30267.1942 6150.1243 259.7601 4290.3876
Metalaxyl 228.2313 273.9786 802.1861 154.8934 287.2343 974.9424 288.2870 196.1005 1395.1095 254.5029 2168.7219 1034.8096 560.4308 1028.9221 764.0618 15663.8528 322.4098 122.9199 147.6698 128.9609 1588.1702 107.4858 305.5194 1661.9002 10473.0580 1987.9309 194.5076 849.6717 244.6304 280.8718 264.2225 709.4858 295.0870 748.0759 167.4444 1194.9107 938.5100 746.0508 374.5140 136.2810 2155.6465 1631.3180 183.2919 1354.6815 527.2663 146.2715 176.7781 858.9814 173.0280 5932.4299 1364.5431
Metaldehyde 1708.2201 1013.4973 3685.2621 4393.8997 1494.9115 2461.1892 3059.8016 2525.7559 2447.5679 3445.9236 2261.0874 2260.1868 2422.8105 3395.4862 2262.7496 1890.7727 508.5416 2238.4902 3855.5064 2441.0742 7425.5915 2796.5995 2789.0153 2806.1873 2636.5326 384.6910 1861.5774 689.3448 3320.5940 707.9997 15835.1031 1076.6395 1301.7015 2537.8039 1994.1295 2085.8736 408.1657 2216.7049 725.1047 2191.7467 1077.0962 1645.1108 1439.6415 2422.8000 3018.0897 3072.0880 2380.4904 2557.7386 2787.7054 2263.0925 2822.8396
Metamitron 6741.0951 4185.6379 2381.4280 999.5068 3222.8658 655.6074 3495.7765 357.3543 1930.7077 1367.3012 1061.3172 16493.1137 1733.4433 108.6613 1857.9205 97.5092 3564.1302 5236.9872 457.9678 2548.8299 76.3158 1532.3163 3024.9182 7275.2760 89.6204 3812.7919 741.6944 2257.8336 1121.3430 1428.2621 1373.7542 2773.4736 2805.0651 479.3833 1451.4106 1583.2155 6809.0289 970.3271 10085.4703 3406.7504 366.2857 25072.2097 3976.8812 3993.1232 165.4415 4336.6290 1835.9875 1145.2802 872.1271 26922.4338 196.9717
Metanephrine 3529.5738 2410.8767 13956.9722 8566.8416 9405.3795 6241.7974 3084.1866 2522.8804 362.6873 8394.7406 19760.8263 16225.8401 6873.5614 1251.9388 89.0372 7653.8135 1689.4588 3059.7730 1456.4738 2588.7454 6369.0919 6183.0849 248.1534 50398.6057 1974.7950 2178.3043 5756.3096 43865.2294 9269.2128 27235.4692 1509.0368 16905.6454 18637.6104 247.5469 997.2072 6303.9883 11747.9685 4335.9828 2322.1220 13821.2786 22459.6537 4187.4173 10712.0802 4042.7989 3485.3982 8442.2563 27530.4623 241.5849 1303.6170 16095.2801 327.1356
Metformin HCl 2577.6834 890.3040 2562.9751 765.1178 666.9862 1085.2160 1339.7550 1425.4366 1369.0465 582.9139 746.8757 171.3195 1512.2831 145.6886 1033.7850 1598.2709 682.5782 683.2076 879.5875 3751.7223 1510.0039 957.1794 1470.2859 3405.5479 2525.6681 4988.9745 1254.7666 829.0445 8027.0603 1151.2084 1050.1826 4554.4155 1609.1961 156.3653 5055.8739 1627.5467 2076.5143 2308.7607 1231.6237 877.3029 3929.8239 8657.2818 1676.5743 2217.5964 376.6931 2907.1946 12654.8521 9759.1306 751.2399 1584.3549 1505.9067
(-)-Methamphetamine 911.6455 1979.6611 1899.9560 2390.5598 803.0659 3453.6093 2218.5103 1345.6496 468.9405 1321.9853 28480.6284 6730.4945 4159.9288 1748.9725 5135.4165 329.2656 2283.8278 244.1040 550.9016 2352.7300 12198.1133 3112.2375 138.1618 2465.1568 1421.2280 3601.8066 2263.9637 769.6468 337.3050 2388.0023 3020.3410 751.2682 467.7722 426.1516 2702.4445 162.3690 658.8200 782.9874 1322.1104 2538.6984 37025.2900 3894.4353 3754.1354 2499.3030 675.7071 2205.3776 1845.2804 279.1812 2617.5027 607.2421 5934.5018
Methanone_1-naphthalenyl(1-propyl-1H-indol-3-yl)- 6792.1988 3327.5341 674.5487 5070.6946 5624.6855 7102.9310 6478.0511 1446.7971 5346.6869 6387.7071 3144.4506 5027.6317 7104.8625 8916.4271 5638.8927 8483.7211 3303.0621 5240.1786 1643.7611 5201.1911 1191.9355 5546.5399 5030.8976 1297.5289 2572.8317 8123.8532 2447.1869 8343.5818 7907.3965 800.4634 7818.3908 6779.2666 6873.6205 8652.4771 163.2284 3725.7155 43566.4073 6927.7014 18663.6270 3593.9912 7661.6974 2429.1231 13250.4535 582.8132 5413.3994 6286.5689 7085.0289 6383.2159 3974.1881 36949.0478 867.7022
Methanophenazine 3419.6075 764.5320 620.1551 2474.9776 3351.3283 1168.9501 1437.8346 3331.5778 797.4837 458.6822 1896.7059 724.9092 3127.3669 1609.4966 2183.8724 6539.0989 1900.9348 2210.1381 1041.7495 6397.6901 595.3821 1835.1352 1449.3307 9643.0605 2857.0266 2342.4424 1981.7153 1455.4089 4437.7279 2685.9763 3394.1464 4230.8002 2157.4403 6002.1166 2751.9982 1448.3397 1296.2074 4224.0106 1501.1361 3963.7736 6088.1853 1843.6930 3876.7423 5529.2744 1943.2981 6920.0342 3509.2339 2697.0564 2034.1466 3041.2115 1254.3837
Methoxyfenozide 12003.8365 28394.4526 1579.3149 21817.7588 12660.1336 5428.8515 4133.6028 24495.1716 5921.2159 9143.1310 507.3553 11417.0258 6103.1284 1324.0957 9080.5729 5913.0738 14257.8905 6413.2259 52583.2682 4947.7027 259020.4974 5566.5512 1921.0428 15656.1633 5373.8353 927.2231 11358.4855 10790.1342 17940.2854 6348.3108 33096.0600 11082.5835 13057.0705 1192.9796 20056.3620 7403.2808 10991.2899 11062.0715 11282.3475 12131.5175 15243.8685 34891.4609 3882.8731 3585.7019 3117.5351 29636.5946 9052.7834 7915.0391 150405.9008 12718.5016 13284.2644
Methscopolamine bromide 16273.3166 24343.0179 5977.0757 35607.0649 3039.7279 489.4448 1289.0963 5988.8761 906.7748 103015.2684 10667.6798 69891.6652 729.8202 107.7991 10224.5531 1050.9113 25995.3878 30290.0761 64677.8634 10967.6630 128137.3261 1527.8034 6307.2137 9035.4826 21710.7532 2288.1890 170694.7851 20870.2928 622.8188 31310.2520 1425.2985 943.3328 21477.7500 8634.7282 20792.9988 61812.5873 35938.5960 1498.6952 53046.2202 129559.2314 93085.6939 136138.5707 109024.6110 54488.8650 4332.1164 1169.2724 1355.4993 598.7434 74011.4093 36599.0836 23628.0672
Methyl (2E)-3-(5-(2_3-dihydroxy-3-methylbutyl)-1-methyl-1H-imidazol-4-yl)prop-2-enoate 1445.6581 1479.5694 146.1583 1448.8117 1351.8484 1500.2669 1495.3357 1530.5002 16351.8275 1283.6241 7336.0079 1839.0241 1706.3394 2383.6607 1715.7142 1297.8001 1247.8156 11080.1695 1937.6503 1807.3946 327.6716 1581.9720 1290.1370 1752.8290 2184.8414 9326.3027 194.6896 1542.0431 543.7838 887.2121 1515.1435 825.4264 296.6546 141.3667 675.9849 22738.3861 1332.3835 573.5247 1263.1262 1375.8207 1484.9542 417.9212 467.2777 698.0391 2266.1409 1814.6823 1078.7910 1692.4444 2765.6883 1644.3540 5681.8534
Methyl 4-bromo-2-(methylsulfonyl)benzoate 29012.4760 4528.3124 26448.8388 14505.6412 31677.7835 25154.4879 31283.6535 26845.4773 7363.4988 62924.2985 40325.8026 34935.7025 25582.0067 33230.2047 38257.3110 39756.9976 29133.8355 1182.0829 13517.5843 31191.9397 41315.7285 2299.6194 33081.0137 115758.6336 153220.6896 28129.4461 23875.0982 29693.7514 2018.4616 1800.7542 39344.2125 33522.3278 32323.9396 95309.8905 29368.6577 7334.2188 33063.5309 12962.6774 41475.6337 57596.4347 13949.5768 54014.2472 142266.5456 17912.1868 39799.8377 138095.0708 40383.4404 27653.5527 13483.3204 32785.5164 29981.0266
Methyl 4-(bromomethyl)cinnamate 3090.8357 5818.4242 3079.8497 6656.7102 3574.7385 3555.1240 895.2217 3462.3936 1499.2310 6478.2190 781.9049 4140.5453 2630.5728 5542.3576 3775.8445 4230.4826 449.5169 2814.0690 830.9448 4186.0540 1691.2879 8229.9056 4066.0317 3033.3674 3346.3807 3334.8827 1667.0274 371.7636 3739.3537 7451.1243 4048.2219 4884.2161 3021.3342 4312.0085 3606.7051 2845.2248 1742.3908 3526.0683 2100.5825 2638.6463 3400.8010 392.8044 3433.0549 2638.8961 11585.5186 4405.4976 307.2820 2055.8045 1765.9762 2926.9296 12385.6897
Methyl 5-[(2_4-dichlorophenoxy)methyl]-2-furoate 4984.1583 4913.2093 4676.7966 5614.3375 5844.2399 4738.2927 5058.3834 4978.2178 5834.3347 5522.3570 6011.4498 3965.4155 5371.8030 5144.2630 5914.3177 6113.4691 3874.3338 5430.3612 4574.7393 4556.8861 4875.4209 4327.9869 5651.7553 4608.5001 6068.7343 5480.5490 5356.7849 7260.0726 6336.1675 8746.7645 6238.6339 6698.3477 5769.4492 5465.0056 6402.4789 6645.4278 8591.0297 4832.5330 6473.3994 6354.8032 6103.1786 6104.2045 6698.8809 8682.8786 6105.1804 6064.4096 5628.0652 6020.2916 6156.6552 6040.0239 4974.3015
Methyl acetoacetate 341767.4758 30025.2296 135770.7675 14508.8354 94996.6117 188334.6966 159009.8887 356089.2608 124919.5916 35984.6600 127267.9393 232094.6090 46752.8969 161400.7976 79207.2179 27650.7606 74973.6421 62340.2873 102596.4306 12802.5863 34425.4075 106669.3887 140566.1375 27462.8035 55324.6381 321756.1211 81872.1269 98898.8203 250091.8005 43466.9745 53166.3776 191558.4342 146020.4910 135000.3098 104547.4397 101769.9832 154770.0144 35929.1607 72085.3819 49013.1554 152124.4679 25498.3630 45314.8835 92937.9382 101276.8571 23389.6544 137030.8516 126577.3700 92800.1216 190039.9355 195015.3355
Methylcyclopentane 6623.1002 2425.2480 2069.6632 6424.5873 4977.9768 6069.6666 1254.3602 5951.7028 1593.2287 9974.6698 6553.6716 2316.7791 5037.5161 10516.4220 4105.6612 5287.5707 3762.4022 4425.1507 5635.4249 1045.2355 7606.0192 7490.7344 12018.6650 5629.9696 7336.1345 8627.7166 6244.8340 657.1834 7731.1185 685.5930 8462.5125 13977.1606 6620.0395 7333.7884 5497.7212 5950.9256 18090.6793 10290.5630 8339.9830 6982.9908 7716.1611 7010.3786 8202.6786 6852.0219 4790.0650 4440.6992 8989.9421 4021.2815 6260.1925 6809.4941 1056.6489
Methylecgonine 7160.8281 4207.8183 5262.0426 1853.6980 185.8392 3745.5923 4745.3349 2117.4116 4840.1854 3155.7149 5257.0091 1992.9893 5696.5128 7582.9412 1421.2916 4922.7588 4098.7839 1588.4942 3689.6379 4831.7016 7775.1688 6112.0166 4742.5860 1784.8184 14858.5320 1987.2902 1239.3409 4867.9356 7895.9976 1045.6247 7233.5402 8397.4720 2629.4242 11849.7738 3080.3237 4403.0270 15112.3968 5479.4899 8284.0312 7988.2320 12774.0695 16464.0070 22544.9287 14846.9226 5486.3696 6264.0419 6428.4944 5508.2812 9471.7345 29794.5795 1200.1555
Methylguanidine 4934.6550 6323.6540 3698.2795 3118.3702 24737.3444 6240.8248 1274.5727 17884.1232 3512.8624 132188.4661 13485.2313 22165.6070 18754.4481 140468.4264 1258.4545 325.0539 142.1792 5712.8277 52830.2919 11433.7068 22554.9567 97.7377 14323.4910 20396.1333 1960.0155 30716.2049 13453.1208 14968.3321 18493.0279 19304.7319 831.2093 76797.4887 5223.0170 5388.7669 4224.7163 24015.6750 13951.1071 24313.3138 121625.1611 62688.5731 6686.3125 12580.2568 32769.8061 33534.3482 18507.0704 12031.6577 13712.1141 13700.8971 11071.3014 101.2772 725.3065
Methyl Indole-3-Acetate 10189.0866 15750.3394 8234.4864 7505.5211 10224.6614 9201.7844 10552.4429 17185.0813 9546.9665 9673.7754 1232.0534 10854.9871 7837.5455 1510.2255 8637.3581 8499.0279 3931.2507 9932.8171 360.4406 8966.9355 358.1361 7695.6401 11382.8858 2263.1731 9878.9635 11567.8757 20820.5243 8446.0756 10310.7352 13455.1226 10374.3663 12789.4309 14917.8139 10779.8500 6933.1163 12178.7094 1750.7889 8359.5950 6392.0669 40481.3380 8918.7283 6311.3258 2950.9537 10379.7144 7356.2358 8823.9602 7114.9519 9350.6207 33952.7926 10476.4343 8200.4006
Methyl isobutyl ketone 17537.4945 65349.2381 23116.7837 897.5709 12590.0395 19057.0068 6035.3884 12721.4667 89009.4861 63307.9831 118120.9628 4666.2715 5961.6936 58204.5894 24458.1591 11605.2035 538.4731 94237.9235 20334.4034 3275.5861 994.7336 96166.9852 9700.0393 18726.0310 3947.4724 66735.1748 8776.5045 79793.5169 170446.0420 4580.4073 36303.5173 13147.6960 4337.2098 150320.2110 179246.8959 10040.0798 237580.2208 74291.6545 40443.4468 25945.3801 1324.8666 61044.5932 8079.5128 9678.9861 24512.0025 68991.0791 134106.0687 2444.4162 34344.2609 43229.1001 47771.9985
Methyl Linolenyl Fluorophosphonate 39246.4815 50075.5745 18972.9369 54704.1595 2115.5146 58.6546 74.5183 61590.7807 367.0871 1191.3363 35117.8695 22380.9057 69406.4544 73281.9842 22551.3966 50498.2748 27430.2133 639.4293 21828.7865 26753.1865 381.5383 37435.4553 30937.5693 83614.4258 80721.9301 8012.4246 55898.5801 49879.1271 381.1705 79152.0480 26162.6011 16453.6633 601.1256 203.3485 9261.5615 69024.8988 1908.4414 7710.5593 61.8211 58913.0566 87275.5319 55724.9331 460.3884 791952.2356 131.2872 210.3635 18883.2458 78.8031 10801.3535 51009.0608 27894.3046
Methylpyrazine 7339.4294 3141.8579 11741.4831 13797.6077 3294.6758 10081.2255 7270.1525 164.5563 2093.5155 2957.5500 48147.0716 14389.0175 11190.7486 18779.5198 9481.2362 825.0412 1808.2067 14205.4321 22802.4519 8802.2013 57889.7875 14450.6341 8300.4704 3978.2042 1821.9565 12649.6442 16837.5519 20724.6860 9696.1329 2359.3285 11752.7406 538.4103 17855.5682 15416.3355 32574.8633 1000.6983 119640.8501 108.5760 53310.2094 22200.5514 2212.7871 3085.7880 18504.9170 17254.1764 6830.4894 6201.7830 18715.7115 5733.1351 22215.5210 3212.8635 832.9778
Methylthiouracil 9121.1758 1788.8340 2065.0770 1506.2062 341.3973 5303.9249 3340.8272 7761.4399 892.2819 492.8259 1312.4749 9264.9063 183.7293 7021.4295 4982.6447 1598.3206 204.5318 1271.3408 1605.9754 1368.7980 140.3539 1046.0250 1792.5710 144.5782 1617.5926 7765.2956 274.1209 3893.9812 10120.4816 1639.2061 167.1007 3520.6680 2766.7992 961.4636 472.2908 1222.2888 5296.6580 260.2142 1348.3218 999.3686 6767.5084 1556.1300 1150.3691 397.2892 658.5086 1227.5721 969.8646 612.6663 130.3949 1582.7880 2729.1358
Met-Leu-Arg-Ala-Ala 3991.8263 1679.6028 3440.3757 2375.7674 2125.5375 2917.2393 1989.0418 2065.9324 2169.0586 317.2470 783.0015 2979.2290 2405.5936 4933.9366 1836.5464 2537.4173 1996.3733 3163.5955 2551.4064 2167.9009 385.3883 2180.6416 1888.9815 3105.1159 2368.7312 14839.7485 1682.9930 6958.4953 4766.6082 2751.1326 4997.6830 10888.2974 2130.8022 363.3936 369.3636 2197.2883 730.5988 2654.9922 1870.8782 3698.2873 1645.0784 1879.1344 872.4789 924.2294 1997.7334 2164.5327 653.4633 2638.8291 1441.7294 3547.9729 1120.1335
Metoprolol 1413.8714 1208.6115 1249.4002 1317.5280 733.3392 1270.8488 1428.0062 576.5735 2833.9266 1526.4516 1255.4244 1426.6275 1155.8452 331.9767 1110.4841 1301.6508 1513.8785 1733.7710 1649.0717 345.4645 1621.1039 1340.6187 1117.0084 7203.3412 634.4865 2080.8021 1370.6641 3222.1889 1305.2041 1924.0074 1807.5213 1246.9351 3214.7297 1398.7459 1438.2888 1916.8067 670.7648 1917.6987 268.0807 2553.6286 2297.2248 1636.6005 1919.7967 1405.9968 1110.5829 1189.2043 1430.8121 1285.8040 591.4779 905.0714 1418.6989
Mexacarbate 2777.3376 3961.5336 1844.2396 4627.7403 892.5455 2187.4703 2102.6724 2275.8134 126.5330 159.4412 6740.4067 2465.5557 1222.8861 134.3235 158.1346 1463.4883 168.8647 1023.4740 10531.2293 2324.9879 976.3678 2701.5839 2001.7358 2958.6082 1139.6215 6422.7318 3636.0053 4797.3643 3583.9676 4943.4193 3465.3457 1939.6279 5957.0553 2526.5686 3826.2292 2481.5402 1026.8464 3526.8105 9786.2906 1681.1343 11660.9690 11638.2849 9268.2867 10255.0047 1806.1305 3275.9456 194.4474 3217.6286 6293.6998 5840.2011 362.6638
MG(0:0/24:0/0:0) 51653.2297 26164.7139 21164.5725 3964.0633 2803.7823 28841.6912 33455.1646 23351.8989 2651.3885 26606.1499 19046.0543 30770.5786 19938.1147 37238.2896 17166.3172 31554.1539 26227.4728 15972.1522 14519.0331 23265.1195 101936.0245 24530.1116 26249.8773 706.4708 4836.2629 7403.8862 570.3997 22888.6057 33237.5559 26765.9994 37028.1510 28692.4708 47091.2282 33894.8587 22142.0723 3653.3910 30457.6389 148028.3770 666.9422 15070.2089 13624.4053 33210.2637 22233.2723 33297.1614 29622.0686 30152.9477 36741.4708 26593.9094 3113.8133 10403.4605 31432.7805
Mianserin 188.7770 580.8090 660.6887 694.6924 162.4430 407.2081 1089.0594 374.0956 404.7129 244.6294 458.0509 208.8456 516.5994 537.4040 377.7751 419.5566 399.7194 161.9707 481.8542 424.5842 531.4668 572.9215 152.8176 465.0377 537.5147 487.6481 603.6003 481.4780 314.3702 641.1845 1779.5582 510.3141 580.3279 332.9515 393.4598 237.3153 198.8553 1185.7456 1411.2927 617.6340 738.3943 688.3447 696.4030 470.8650 893.4503 469.5086 163.1371 162.4585 146.0422 175.6870 375.3000
Miltefosine 14685.4671 12162.2689 19663.2394 12465.1029 11984.3040 14609.5089 22213.1309 66493.2854 82533.3707 15500.8345 51942.7771 10693.1936 11750.2635 223239.6644 16907.4325 44494.2151 14126.6551 143386.7786 36727.0797 16746.2254 23130.2969 9257.7596 13510.9491 14252.5624 10985.2065 392235.2905 43701.2388 97272.6073 19267.1542 455778.6282 412846.9303 293074.1063 31558.3709 29733.8754 57546.3649 236719.2528 53974.6619 16343.8728 14089.7624 357439.1356 29759.4237 9557.7633 16035.7703 19992.3936 27751.7646 9146.4558 16293.6614 14278.7058 56947.2554 81869.8608 37312.0907
Miserotoxin 1811.6202 2421.5362 2853.6519 2390.1604 2727.5502 2358.9954 2526.5476 6272.3278 2352.6378 2441.3369 266.4832 2518.3661 2333.7555 555.2773 2255.9998 2455.5038 2463.6063 2203.8644 2033.1949 2587.6495 2011.6412 2444.0080 2748.9359 4416.2506 2670.5290 4561.7855 2210.3168 3504.7120 9417.0903 2730.6703 2817.9662 1700.3974 305.2777 7172.7531 604.0611 2474.3450 2193.5818 2576.8670 283.4291 1896.4094 5907.0760 2254.0643 1604.8231 1052.3312 2263.2760 2959.6672 1742.8069 2352.4914 918.2236 2884.6631 2223.7175
Momordicilin 21060.8107 25577.5324 25251.2682 9348.0552 18646.7331 25718.7524 26014.6446 10965.9378 27009.3266 8564.3905 24406.3678 23426.9114 22068.4948 23022.4704 10807.3335 26913.9060 16939.7784 24804.3753 23893.2486 23180.4545 24252.6191 22639.9059 26138.6026 28287.0049 26655.3077 9120.2534 27957.6712 11112.5056 10167.0214 20346.9503 21587.7923 29842.5067 27665.7865 31255.3308 19257.8742 23581.0382 29450.4495 20594.8353 12488.1526 14616.8230 30059.7320 20244.8715 28709.5337 24355.6041 26317.7107 28254.3651 24003.6539 11782.4423 17108.7693 27820.4720 12051.8894
Mundulone 2607.0929 1770.7964 191.3133 2716.7328 15559.4445 848.6770 91.5119 1635.9125 2161.6957 7172.3218 8034.8105 5839.1261 600.4446 1578.0107 2741.5260 18793.1750 755.9128 5030.0092 5860.9429 104.1968 1824.9014 2247.3932 115.2143 7355.0639 4354.8655 800.4796 1346.3617 4566.5993 5959.8738 15444.6635 1011.4276 6922.4839 4162.2011 1170.3483 1798.8654 6039.2259 5382.0573 5201.0529 3991.7870 4941.5598 7897.4657 5541.4497 1915.4428 2839.5029 1046.0180 3524.2748 1274.7548 7368.8367 1838.2431 4579.3325 803.1980
Myristic acid 34508.8993 57461.4305 37431.0034 39596.9932 46119.7344 56698.8604 109861.2326 34272.8876 31951.5322 37830.6917 48610.9872 43677.2680 26225.5418 16932.9338 44742.8667 38943.3522 64543.3837 66673.9096 21974.5371 64516.3072 29343.0734 55054.9368 56136.3709 20436.3053 54041.1070 29774.1317 33497.3718 25555.5510 51016.8006 36617.9556 32089.2223 64046.2071 25447.3176 62003.8583 44498.4374 29200.7643 33260.3341 26407.7252 20577.5868 22987.5475 16635.4805 40702.6830 38167.2954 37265.4035 45517.2666 55269.5520 48993.5067 47580.7353 24591.2661 16442.9355 36530.0510
Myristoyl ethanolamide 1276.2476 1655.5443 1143.6095 717.8874 1310.9024 4152.3291 570.5626 1663.3726 3640.0399 5458.6991 941.3060 639.1271 3641.6207 1723.0920 645.1731 556.3608 1279.6620 3515.0780 123.9854 761.6552 1958.2292 2854.8039 655.9606 1624.4836 109.9012 3665.2879 127.8670 732.5168 1232.3168 538.3749 1672.0562 703.4888 1682.8868 3945.5285 1136.8085 4413.5019 1320.8448 4346.5214 1667.7473 1624.8236 910.2929 2089.3505 1541.6618 586.5393 681.1573 614.0909 841.2619 381.5774 1550.2996 760.8344 852.4056
Myristoylglycine 35438.6261 3049.3085 58030.9216 2369.6682 254730.3900 130091.4552 48220.8543 28424.1022 23834.8603 17596.0637 7869.9546 244138.6724 16189.4065 1218.1426 82021.2155 222490.2791 18320.4557 12087.9851 5625.0393 11292.1593 2580.1931 85379.6953 122253.3694 93.9188 3340.3615 11273.3764 8617.8552 2544.4908 7561.5773 2854.1187 79224.8718 96439.0317 12770.6258 869.4763 13855.0202 43216.6617 8777.2965 19608.1706 12486.3003 6090.9090 3818.6854 2396.7574 1120.0242 6102.6655 65239.6903 257422.9966 21402.9555 33582.1144 15382.6206 37847.7062 130357.6588
Myxalamid A 3467.5692 941.9585 1855.1812 284.1609 285.5081 1470.6415 4040.9633 526.4006 1764.1778 1868.3652 1657.1486 3027.4811 3525.9830 1944.6532 2760.1375 2963.1322 4054.9717 1002.4175 1493.6746 4769.5848 1963.1353 4897.8306 2379.9013 1554.6824 1223.7150 809.5480 714.2836 2943.7463 2220.2592 1837.0004 936.5296 724.9697 1417.3405 5652.6645 2302.8248 379.7434 1835.5449 1397.0684 1810.7198 1928.4840 557.4284 2358.5897 3409.5832 2049.3636 4138.2319 7916.9802 1321.1511 1687.4417 1071.4525 1554.1956 4041.0257
N1-[3-(Benzyloxy)benzyl]-1H-tetrazole-1_5-diamine 7416.5794 75573.6549 396.4161 53984.3884 37672.8180 34924.2661 31014.6658 28697.9895 37491.6151 184410.5367 30750.3538 41057.9424 47791.9790 86676.9287 35427.7056 25861.1913 35768.7150 32431.4789 7114.6204 25610.0098 74219.4340 39422.1817 44273.6564 3187.8692 47012.5837 2395.1726 42268.1218 21034.2677 625.8920 71958.4433 62732.6042 45587.6960 398.4788 47635.3938 3142.9126 12872.2471 1957.2549 50842.9386 471315.8966 5229.1002 63336.1238 78147.4062 83168.2440 2381.6485 39010.8074 87967.6019 46867.5119 8635.9510 44003.2859 2984.6567 33929.8075
N-(1_5-Dimethyl-3-oxo-2-phenyl-2_3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide 581.3069 330.4837 1237.2916 884.0185 150.8454 840.7512 803.8011 514.9705 117.5075 270.8416 466.1785 441.2021 592.1126 583.0004 445.5803 508.7347 574.7526 865.6847 634.6496 141.9980 193.4403 919.3470 282.0269 552.5611 655.0568 309.3708 1059.5441 624.5060 500.0563 705.4578 1039.7019 649.3142 372.6802 2143.7821 610.7258 880.2101 766.1810 461.9501 1438.8812 122.7336 571.6335 620.0339 1037.7783 758.3950 205.4108 509.3203 359.4867 140.5594 2115.7620 140.0121 164.4037
N1-Carbethoxy-N2-phthalazinehydrazine 1213.1410 763.4472 143.7969 210.4194 1667.7165 135.3297 944.5061 1495.3527 855.9436 466.8839 730.0548 1073.1779 898.8834 1023.8478 4768.0951 2049.2145 2132.4539 738.8519 700.7025 2887.6825 756.3142 2140.6719 1924.3502 273.8223 2133.0585 864.9006 1316.7199 657.9683 1228.2921 135.2555 952.1363 2671.4843 772.0618 2377.1141 1480.9184 167.8973 740.3992 758.8093 645.9423 279.4376 636.1945 130.5261 641.2539 631.8346 4258.1142 915.5801 1253.8922 1941.5610 881.9021 118.9164 2623.2262
N1_N12-Diacetylspermine 3134.6973 2099.6564 31485.3482 282.5559 7288.0713 26515.5872 19220.3829 10691.5210 9538.6353 354133.3387 4080.8899 29811.5877 15312.2495 25973.7437 20995.4988 13356.7737 4048.1259 7413.3461 5547.7984 6615.6403 64.3693 47166.8227 54993.9797 1130.7553 6313.1544 1640.0767 2609.8180 5038.1405 1974.7884 286.4981 95248.3740 14720.4725 125.4996 560.1492 33970.7125 14730.8184 3513.3846 7962.0849 4883.8712 7971.8726 3040.6053 1640.0673 795.3646 1513.5008 15955.5524 7047.2826 757.4207 35374.0087 3280.4292 5654.5244 54925.7374
N1_N8-Diacetylspermidine 447.5386 2494.0505 2805.4128 2844.2593 6752.6607 7273.6869 577.9432 3042.7752 1898.9531 2638.1999 3300.1151 4027.9071 2758.8740 4175.8307 275.9650 3327.6315 3049.1673 321.7239 2857.6566 3407.7301 3710.2390 1016.4318 14394.2849 3094.6558 3936.6623 326.3012 2868.9853 2586.1775 3857.3385 4245.2392 3208.3943 14817.4487 3480.1935 5455.6444 1146.1002 3482.8255 3744.5357 3071.1380 3774.8851 4041.0519 3581.1052 3758.8137 4284.1308 855.0884 3788.0852 3836.6740 414.3563 279.6335 3237.5351 5296.1896 1543.9507
N-(2_4-Dinitrophenyl)hydrazinecarboxamide 5559.2641 7287.6763 8313.3505 5819.1791 7794.6425 5251.8546 6341.6223 5744.1593 4684.5301 4646.9712 6350.2753 5302.9841 7053.6219 5725.4308 7257.2778 6328.9737 5388.6714 6668.5010 5278.3576 6867.2807 5770.5710 6013.4707 2608.8417 5875.3877 8611.7093 5513.9017 7137.0954 5789.7668 6650.9466 3740.1693 6097.8729 7480.3175 6489.8331 8012.4606 5939.7340 7515.0492 5374.7322 5516.9043 5590.4503 6498.5801 7511.4326 5898.8547 9155.2917 7808.2241 8677.5458 7593.3854 7211.8790 5452.6751 5553.7440 7825.4240 6611.3980
N-[2-(5_6-Dimethyl-1H-benzimidazol-2-yl)ethyl]-4-(4H-1_2_4-triazol-4-yl)benzamide 7639.6006 2422.3880 2792.5215 2903.5691 1522.4724 2748.7603 26385.4833 7551.7158 2771.6004 4867.5590 3541.1230 6790.7749 2112.2485 8505.2099 7648.4631 10383.3032 1010.1111 1971.8626 1628.3082 2241.0342 2106.7102 6956.5564 7673.7861 360.4944 7660.2511 6612.5460 3910.2647 6493.3485 8582.5875 6903.4378 5099.2527 8844.6846 5433.8759 7828.7993 3716.4097 5047.6785 4788.1220 1512.8465 4882.9559 4670.1312 6362.0761 5375.0301 4869.2666 4639.2540 7465.0475 6587.0674 25785.8242 1182.3460 2846.7098 5301.0548 12384.9184
N2-Benzyl-1_3_5-triazine-2_4-diamine 13319.4808 6568.2759 4688.9386 5573.3273 5542.8782 20030.1874 2167.6996 6039.7539 8200.5547 21617.7189 8697.5370 2457.5743 167.5481 6903.1067 3190.3598 8759.5793 4827.2330 8704.9962 9605.3598 165.8331 8402.3177 5722.9649 1391.2490 3184.1010 218.2231 18778.9147 6009.3677 10270.9029 4862.2958 8194.3998 1384.8074 11386.1012 6499.5896 2215.0585 2858.3245 10454.5241 8169.4521 3845.8497 7141.6375 7415.9461 8101.3074 6353.4430 6406.3998 6422.9152 2685.5178 1873.1469 3985.0054 1848.4336 8657.8451 6573.8899 1476.4031
N-[2-Chloro-5-(trifluoromethyl)phenyl]-2-(2-nitrophenoxy)acetamide 6317.1451 117.3655 13612.8321 96.6947 2868.6313 12670.0195 4342.1855 6684.0799 1529.1671 219.5618 2077.7845 10089.2972 1719.7694 1582.6440 357.3775 494.6774 1830.7118 1823.4104 2384.6967 767.4997 728.7972 1287.1948 7322.5780 1471.0195 4187.3557 12440.4309 1285.5081 4108.9740 11299.3489 110.1743 940.7910 28660.3097 6439.3733 3755.0493 2545.0928 3829.8727 3024.4447 1140.7025 1010.9919 1396.6099 3349.9502 313.4472 1709.7101 3467.8458 1213.5337 1310.2404 2135.0679 1266.8882 1871.8218 8779.4537 1335.6838
N-(2-Ethylphenyl)-2_3-dihydro-1H-cyclopenta[b]quinolin-9-amine 3187.6615 294.5707 2097.6287 1657.6300 2016.5400 192.2407 133.1093 2497.6763 2344.9038 1377.8287 1495.3270 3038.7648 2565.1131 139.4411 142.2731 1884.2929 979.6558 156.5108 586.6037 1750.6024 11579.7509 1452.0521 1722.7189 361.2830 2952.7177 2754.6446 3010.2894 719.5616 2803.6664 5194.9907 3423.4106 2096.1303 11254.1417 3282.5210 622.7015 3615.4605 4377.9485 2742.4296 666.8899 3857.7065 3814.9236 15932.6479 4113.7713 3837.7268 1449.8292 1966.7603 2679.5390 1547.2360 151.1115 657.0842 1623.6448
N-(2-hydroxyethyl)stearamide 2754.2159 1719.1508 1204.9523 4632.8615 1276.3261 1944.8727 281.9595 427.8465 1108.8476 501.0003 104.0830 1040.1337 3606.8274 66616.2030 556.4638 1107.5503 302.7163 3542.2371 1283.6418 630.4998 3940.7573 2178.7727 598.4228 546.7628 1464.4311 2301.4686 1752.7273 8809.0522 8613.2264 6872.5189 1278.3979 1239.9983 566.0593 492.5135 2017.1689 687.6907 373.7469 2039.0298 839.5967 58.7364 4464.4938 731.3948 4070.0994 551.1509 825.9374 3674.7262 4294.0199 916.2454 90.7032 1032.0179 740.8308
N-(2-Phenylethyl)acetamide 55556.3323 79483.2293 92175.8786 81079.9856 79432.4551 79527.2336 96392.9136 93264.6600 72016.6111 80904.5210 77565.6055 96106.3261 82259.4907 60766.6905 111227.0747 92379.9014 111945.8057 91190.1148 67821.2370 101183.8187 71284.1567 101702.3691 108696.3340 67717.9422 97682.1923 42715.0407 85130.7195 51755.4943 72610.5391 50027.5398 62591.4976 97178.9650 64894.3752 97017.4769 98166.0062 78511.4973 50049.7912 76940.6952 65624.3612 70132.3236 49580.7901 69486.8966 77231.2424 80783.9187 118582.8564 92725.0498 75266.6753 87426.0944 64058.7117 68291.4551 106990.2835
N-[3-(1H-Imidazol-1-yl)propyl]-9H-purin-6-amine 8610.2109 1148.3376 3447.9548 13380.6508 2841.4668 14295.0284 2321.2140 17459.2968 4570.8697 1313.1710 2814.2955 8768.9265 7503.9227 21390.8511 6397.9908 8495.7456 4870.6215 6280.4228 449.7444 8824.6723 16257.1895 7296.4633 9727.0674 9991.6915 10297.0029 445.9333 6190.4090 6793.9555 2343.4048 1427.3824 8716.2329 9415.0308 5231.8082 10605.3322 6569.5883 8687.9734 425.0448 9437.5476 10389.4766 6692.1709 985.5516 13820.4870 78740.6312 12866.7898 7864.9807 13077.0233 9107.9876 8370.9085 34349.6675 10657.1761 427.4004
N-(3-(Aminomethyl)benzyl)acetamidine 225.9599 1192.7731 109.0830 916.2494 492.1419 89.7948 462.1842 3069.5898 563.8831 586.6146 82.2109 476.6747 231.8638 1014.7651 215.5523 170.5336 795.3172 840.8696 496.9216 1138.5452 843.6741 712.1739 605.5982 184.5227 213.6722 2908.4343 707.2033 432.1444 4500.8819 82.7536 549.9376 474.5588 146.6481 500.5770 1173.6539 960.0921 754.0358 3202.4687 445.8815 549.6068 835.2873 360.2328 1547.2086 680.7965 815.0984 363.8016 4106.1906 894.3166 189.5239 3411.0331 338.1188
N-(3-Dimethylaminopropyl)-N^-ethylcarbodiimide 3626.1925 263453.1855 4145.6150 8384.4065 15422.9965 10762.7407 2241.9411 9419.4773 310022.6099 813816.0398 673899.8775 3157.0840 100575.7759 130313.9731 30037.9047 11757.0804 5433.4863 486853.7107 324255.8156 10684.2705 15813.2682 502016.8660 5098.3283 118988.8454 1384.9728 36291.8749 25914.7086 404811.0695 53143.9090 813.3211 29838.5162 16529.4293 22359.6372 121455.9249 384275.5422 149985.3737 706939.1193 260625.9268 685836.0461 1135898.8130 27104.0544 855791.6472 514916.3889 344529.7465 209.7125 11524.1718 290882.3295 858.7798 905082.2963 119423.0065 168006.9789
N-(3-Indolylacetyl)-L-alanine 7318.1329 20443.9577 6927.7548 6829.0488 11672.1831 3267.5554 1091.6302 3061.7845 6168.0698 22573.2180 15173.1117 4327.2973 5384.5528 10662.7546 6585.3418 16924.2573 7146.7409 11466.5515 24709.5277 3785.0797 16664.4747 12807.5238 1556.8962 4396.1126 12662.3572 23804.7162 9103.0097 15478.4333 3125.5277 31959.5045 4679.9971 10391.8035 19052.0167 5206.9376 3096.6760 11458.1031 12349.5493 7924.4308 12157.3009 8676.0103 10213.7272 5285.1633 8667.2261 7934.1786 2254.8576 3125.7845 3450.2330 3170.8166 3895.7972 7555.0637 7782.5077
N-3-Oxohexadec-11Z-enoyl-L-homoserine lactone 3113.7145 5940.3693 1557.4168 608.4828 669.4849 663.4220 2099.0588 318.2710 315.0120 1505.9699 2129.9167 1679.1600 3326.8981 7756.2917 2380.9745 3538.9915 352.2979 1110.3148 254.9721 2017.2244 2918.5949 3108.4360 1950.3675 2723.5233 352.3001 2346.4223 2390.0661 311.7692 4946.3690 291.7758 365.3345 700.6870 2120.7215 495.7714 1854.0487 5008.1224 2824.4645 2353.5549 3272.5927 4492.2979 3341.9444 3075.4745 1423.5696 5358.9400 2378.8455 1977.4607 5004.7113 2160.8741 6327.9645 1199.6535 2105.4735
N-(4-Bromophenyl)urea 11311.0751 7633.1041 14883.2507 6381.3163 8514.6512 13251.2490 11552.4508 8202.7085 12051.5499 6571.7114 6760.0822 14610.2252 8191.1886 6352.1905 15599.6993 10042.2326 6203.8873 3908.3907 6068.7201 12210.7825 4178.3783 6454.6655 5767.2721 8071.3210 5772.5645 6646.3872 8603.1812 6627.2866 8986.6424 7146.3246 8234.3654 8301.0020 6593.5848 17767.0507 9552.8932 10466.2714 6256.0730 7104.1353 8083.9862 7642.3563 5429.7837 7640.7752 8620.4818 8261.1429 22846.3278 10556.4835 7262.9691 12044.0656 8594.9222 7510.7700 20948.5227
N-(4-Piperidinyl)acetamide 4860.6664 5120.2298 2988.6363 1989.0232 1869.6291 1316.5108 878.4714 1482.4720 5017.0329 4496.2244 3821.3027 1102.5104 4752.2716 3536.0658 1273.3287 3940.5875 2141.4201 3292.8886 3460.7964 901.9782 4875.5376 1406.5886 222.5778 2586.6571 5612.7258 13320.6756 2896.6893 4128.1636 4079.6731 5243.9708 7048.8925 6877.0114 8324.3473 5496.4090 8209.9075 1271.7102 2443.8072 11603.0759 2520.9360 1978.6529 7054.2627 4844.6698 2778.6423 8041.0826 380.8420 1781.5464 2294.9816 1373.7975 3304.0475 5030.4807 1427.0176
N-(4-Piperidinyl)cyclopropanecarboxamide 52597.6317 36890.5890 2339.0019 36917.4646 250453.1678 21679.2608 1948.7192 79552.8025 25878.7927 19651.1524 4851.3734 44706.9473 37164.9169 45128.1604 28155.9119 35875.5088 39718.4728 9833.1808 43876.3156 83834.4623 36113.5460 49478.4980 60674.7377 35464.6592 35327.0246 13362.5757 10920.3911 27607.4245 2659.3041 67896.4398 36736.0989 46464.3661 3764.9796 59522.3620 39888.4910 26884.0470 27684.4019 30135.0600 38606.4173 14948.2926 23686.9404 186.5586 9749.2328 32990.6926 90840.8884 16288.7647 46490.5355 77102.5005 12375.7879 20846.0294 64213.3765
n5-Iminoethyl-l-ornithine 515.7939 25993.5672 8540.7604 4937.2525 2113.5297 12257.2646 5138.5095 8800.4426 18741.7119 10606.6349 792.8025 41898.8485 128.9338 12040.5639 5794.8612 17029.7546 12128.3219 1208.0536 10955.7340 983.9051 15847.8473 2433.3626 72314.5111 147.3406 2993.0049 12391.5426 16755.0575 952.0880 360.2773 47777.2111 6208.7731 160.1395 13033.3968 48666.9660 10574.9204 957.3762 4754.7561 10033.4385 16214.4235 9350.4305 9464.8560 3526.3720 14722.0112 11968.8157 6954.4395 68927.9531 14481.1519 15770.3602 655.3019 1725.3397 1581.4197
N6-methyladenosine 1596.5689 154.1585 251.1271 5512.4147 2799.6273 2699.1356 3120.5921 9562.4243 130.9626 795.6159 3540.0586 2916.5650 2861.2311 1159.2409 154.4252 2029.7742 5612.7704 6620.1880 5840.2570 972.3024 1274.5149 5292.0792 2758.7431 16144.3795 5533.0367 6041.4304 3248.1299 5714.1780 3139.2322 1194.5563 371.2933 2919.4368 1222.6498 3599.3808 10609.3104 4548.0236 685.3942 3520.0208 1340.9174 1759.3377 237.5035 3815.2275 2962.6379 10081.9197 2947.4175 2763.5930 3741.2670 569.9500 1298.4760 6314.7272 1167.6895
N-Acetyl-5-Hydroxytryptamine 1392.3043 211.6222 449.8870 1259.0318 63304.4339 7990.2371 23827.7572 3395.8088 232.3645 1177.7778 131.1408 70601.7858 17536.3933 12996.8811 25596.7599 11523.5460 16668.4206 985.4076 10821.4117 43610.5899 4463.2382 11502.8687 21344.7674 1073.5933 205.4602 319.3420 766.9382 5555.6328 9079.0970 8495.6116 6934.4980 15257.2175 531.9172 3160.8054 11595.0040 6693.5900 484.7038 488.8792 7748.6988 5074.0077 1578.3930 5713.1435 5975.5882 1520.1973 15926.9427 3597.5076 12780.1294 76386.4096 3112.6071 386.6874 20560.1965
N-Acetylcadaverine 107225.0699 183351.1471 120816.4343 8024.7218 33108.7050 111475.9547 19309.8098 36792.0221 355147.8366 106187.4665 332127.5455 10971.7521 16494.4890 87407.2457 58333.3580 354535.2058 2848.0524 392268.0569 49601.1522 6309.2192 795.7901 411159.9787 209430.1185 46664.0774 7016.0799 241572.7489 17586.5569 50896.6164 331767.7062 11677.3512 123169.3153 35631.0449 5276.5940 1428732.7630 1122291.7820 14295.4837 637806.0272 203198.3415 65733.5243 88931.1267 438.9592 103819.1179 38149.1598 12333.0401 3108.4618 400000.8595 886468.3686 46975.4046 147769.3205 71158.0021 180432.3725
N-Acetyl-DL-methionine 858.0327 1965.3379 396.9648 1742.3866 1447.6208 841.7279 892.8195 1533.5347 4513.9644 1951.2235 1487.3301 116.5565 1238.2424 798.8075 433.1231 1436.2520 1012.5207 1131.5622 1390.0531 1023.0645 2301.4117 649.6769 976.6871 1469.5726 2763.4899 433.2260 977.3182 897.9659 1129.3991 3133.4426 131.1669 554.2388 1421.3711 1846.0887 154.5998 4043.9592 1930.8013 1138.5719 2104.2229 1205.8795 2461.0254 964.9545 1825.0509 2146.5458 905.7466 720.9660 145.3132 851.4819 4020.2887 2033.4612 109.5316
N-Acetylimidazole 820.5393 221.1329 712.5784 757.9518 983.6384 727.5336 666.4150 1818.6359 1228.4926 1372.8332 502.0841 735.6929 649.6870 738.6990 624.4935 603.9508 914.9079 213.7252 706.2410 673.3820 478.0712 713.5092 634.5312 1102.6485 456.6706 825.7160 692.1115 192.2797 793.4417 1300.3565 665.2993 408.8223 188.1904 348.2976 654.1733 804.8943 748.0368 249.8545 263.8609 242.6049 1941.1296 593.0511 862.1202 849.4183 307.9351 777.9552 712.5777 666.7264 1090.9416 1011.7894 661.0570
N-Acetyl-leucyl-leucine 2691.0243 1381.3499 3721.7176 3061.9925 16759.4009 2843.6981 6489.3722 3186.1444 5341.3709 9837.7288 3631.4850 3530.6754 6169.3349 7717.7339 2558.6972 5135.6979 4782.5592 179.9697 2948.7055 10613.1810 3997.6720 6152.3573 6093.2653 1468.5695 2467.2625 2346.1884 3304.2282 4702.2047 7812.9347 4477.7770 1005.8487 161.8741 162.6696 9216.5215 905.7812 3598.2828 1269.3244 186.8544 382.8582 3843.2195 3395.2610 4471.3883 5012.5814 7059.6589 12721.4355 14187.8330 7562.0712 10381.0914 4446.8810 3549.1820 5907.9707
N-Acetyl-L-Leucine 22392.0768 1255.6311 2062.1043 2076.8723 1047.4514 577.5082 390.8352 3920.0985 2471.5506 1309.2580 1532.7961 110.1780 754.3709 5420.0221 307.2287 7684.1905 1183.8507 2552.9066 5049.1088 1184.7291 1111.8697 2044.8826 2732.6503 6160.4447 2152.2887 2591.1992 1597.0090 179.2678 799.1949 2428.0573 35892.8276 3102.0321 2949.7321 1423.6595 4405.0891 3263.6412 3516.6163 2871.7097 2530.5025 2010.6750 8441.7719 1023.7428 1510.2232 5155.7375 667.4991 705.9319 919.3586 1340.8570 6241.3290 1834.9448 849.9016
Naltrexone 13422.4836 340.0435 28928.5616 210.5718 1881.2184 20968.0048 589.5663 13469.0105 3978.6043 17479.9730 220.2014 1410.8785 116.5224 1296.6331 108013.0359 4713.1195 383.6019 981.7549 1445.6302 24791.5421 838.4222 28193.3933 9927.3293 715350.9812 40451.2783 584.2596 37.3498 382.7302 1056.9812 4718.8010 1477.8905 59576.5759 302.3652 1565.3347 929.4438 249.9233 108.8223 230.6643 18888.5300 2353.0400 2697.1896 386.7748 1325.8968 3917.2532 26.5884 16244.0153 13390.4112 21092.6913 2951.7716 578.9816 398.8649
N-Benzoylaminopurine 2792.5113 1756.4906 173.6465 2071.6505 1903.5155 1513.1652 1505.6911 3141.6808 2306.7354 3491.0900 3791.3670 2236.0912 1452.0955 2198.2207 1470.6723 778.0372 596.1951 595.1208 473.4182 1419.1942 2867.5833 704.7804 281.2929 2435.2207 2930.6318 2139.0809 3000.7103 701.6271 851.7098 3511.5446 2197.0934 1264.3340 1217.1312 1614.2027 1465.5822 445.6084 4661.9868 1924.1715 2348.3569 525.9111 1645.5139 4523.3142 1322.7460 726.3163 1101.2545 1734.6752 433.2101 2610.9146 815.6244 134.6786 1431.0032
N-Benzoylaspartic acid 3434.3416 9215.0260 19670.7737 3631.7067 6884.9863 3733.6768 1926.0218 959.2098 1421.4920 17511.6615 991.5331 7579.1064 4744.6732 4130.7158 3083.2075 5297.3780 1117.6079 3577.2436 1503.0115 3830.6537 290.4560 1327.8144 13406.8364 128.9713 5584.4040 5814.7939 4225.3257 4238.5297 13113.6794 2246.9642 5149.2713 12634.5498 454.3935 5957.7729 14672.4429 11856.9879 1828.3996 1558.0397 669.0641 1854.5778 6460.4328 1157.3329 5155.6108 4312.5392 4677.4131 199.4819 1389.7130 1419.9656 837.8377 843.2058 816.4887
N-Carbamoylputrescine 54045.1536 4594.8399 14521.2444 2357.6509 61065.1972 4107.7192 16517.0311 13194.5840 146897.9675 41461.1274 465057.2388 8558.1918 234662.9749 394381.2694 174972.8183 333171.0045 1740.0923 292448.1939 267074.9054 302750.8287 143650.3884 4018686.6520 219496.6114 22919.6650 25465.9328 295372.0250 3253.2038 284861.8801 9187.8986 14422.9280 642.6906 4761.2740 252073.5038 198905.1975 330891.1786 15911.8287 1852737.0240 1209.3926 256703.6317 328013.6578 2752.9556 1943.5935 277416.3388 288687.6451 10304.8332 2125655.4260 90470.3584 63457.6320 6079.9617 295108.8911 260736.3712
N-cis-Tetradec-9-enoyl-L-homoserine lactone 5238.6707 1755.5238 2139.4748 1529.9105 1970.1894 841.5772 1863.7618 1732.1162 4706.2573 1234.8996 1388.8900 247.2090 1825.7264 2024.8663 2010.1710 1978.6413 1480.1735 958.6780 652.4380 1866.3171 1813.6400 1951.7359 1824.0825 1964.6115 1404.0619 743.1173 2495.4903 1534.4456 1569.8421 306.8717 1857.1513 1512.0148 573.5277 2111.5930 5194.1653 1341.5947 395.2619 1799.0913 209.5313 2834.2659 1722.8633 3443.0630 1930.6812 395.0289 1985.6735 2013.9643 2751.5575 1761.9612 286.2188 1851.4670 2597.9356
N-Cyclohexylbenzenecarbothioamide 335376.9507 9103.0891 15742.5917 18523.6316 7112.9297 840.7684 4285.3653 24222.8811 17997.3065 12606.9323 12213.1446 3434.6447 3790.9884 1684.1974 3218.8481 77482.3225 7183.5309 20780.7076 37446.0237 4279.5526 4818.0328 16580.7093 1111.6133 54009.0187 17069.6734 16108.0092 12236.0200 1567.9528 6801.7039 21902.6747 537362.1262 27528.8913 18799.9058 7147.2754 35699.8176 28907.1348 31067.1030 26715.7594 21453.0498 14860.1546 99919.6976 7727.7490 11468.0552 53565.6548 3827.2459 4877.5268 4621.5529 8002.4873 53897.1479 9155.0156 2319.3169
N-Cyclohexylcyclohexanecarboxamide 3709.7740 12146.0779 1860.5910 4278.4686 1327.3007 1666.0305 1869.7897 450.6045 1158.3546 6452.6755 3895.0577 2666.3555 412.5292 4869.4194 101.5791 268.6133 1168.1917 1434.5717 1644.6713 105.6508 3836.9112 1077.1503 1505.1108 994.3610 3879.1239 571.4133 5135.7534 668.0182 117.6667 4592.9522 923.6085 4377.7159 850.9061 977.1931 177.3501 3051.3347 2362.1465 1451.2668 3645.1107 6350.7903 2801.3975 6403.0024 1639.7464 1317.3984 341.9421 659.4125 6077.7276 500.3218 1652.2337 348.8741 1754.1761
N-Cyclohexyl-N^-[4-(diethylamino)phenyl]urea 1390.6634 3828.0481 8442.3176 3891.7457 2056.2092 218.8489 3827.3333 5586.1850 3883.5166 44098.4330 23101.6834 5116.5066 4264.4161 9620.3222 4712.1838 4347.3407 3586.0227 6148.7401 730.5994 5143.4912 6143.4825 7189.9987 2848.2274 3415.1662 422.3153 5522.6163 1001.3379 4838.2950 2670.6645 7700.7056 4847.3405 1682.2530 5326.8381 2069.2729 407.3614 3325.4189 398.5070 5696.4105 7683.0723 5947.7715 6656.2381 2375.6911 5957.8764 3276.9259 4526.0424 6200.5548 4850.8598 1095.4100 532.1269 5049.1078 4123.8098
N-Decanoyl-L-homoserine lactone 21.5243 88.0429 187969.3237 75645.8231 23679.7296 58.6181 33806.4244 239.5507 60620.2316 308.8866 426.3335 150.6529 8121.7489 15274.6789 250.5452 12301.1823 2007.2199 105.0879 13.4207 99.2973 1218.3858 286.2818 1872.6691 30.7124 645.7139 179.8181 39.9477 188.3709 119.8185 771.6621 686.7689 65967.8724 911.1600 109028.1239 166.2929 222.1358 83.0462 80.7407 459.3756 152.3789 225.3813 146.6871 86.7776 197.1954 41.5627 68.2733 3.4458 42.2955 54.1125 285.3011 43.8783
Nelarabine 5061.1530 62926.9998 138280.7944 65072.7132 60184.5561 174935.4732 77953.6567 53838.9110 19285.8755 57305.1336 35779.7062 9236.5078 84628.7503 4111.6197 95376.7509 120512.3013 79554.8963 50098.8162 1425.3121 133017.2884 60917.4277 184941.7001 117423.1343 80569.3719 92906.7085 63239.3548 1513.5970 62699.9952 3794.2845 64386.3526 423982.9198 92405.2558 12351.3186 41934.5570 663.9850 2518.8697 21584.4931 67068.5222 48642.7459 53265.8424 60618.9056 58843.3874 81091.0470 42632.5744 114279.4227 128111.5613 145722.8890 207094.4134 57919.7340 66161.9790 303729.8154
N-Ethylacetamide 48863.9519 45728.5281 36434.9107 40238.3703 44074.8911 38324.1334 42388.3123 43971.8057 49519.1592 44738.7093 40381.6666 46189.0888 57326.3766 40630.8754 49551.2108 43630.7202 47685.8568 7089.3524 34631.6894 57302.6840 39917.6202 46171.9005 57567.4369 48262.6802 54030.5860 43643.6445 45168.4106 41133.4829 48849.0127 44352.8143 47059.5624 52280.3427 38597.0776 51333.4053 51902.5331 46513.6295 36451.3621 46061.1881 42263.5148 39047.6175 40718.7811 44203.5578 43787.4971 52043.0979 58197.8097 60497.0423 46900.3852 49625.9648 38566.6530 5483.8527 54333.5960
Neurodazine 132.4926 2767.0844 1221.1765 940.2535 3024.2602 164.4734 23213.0071 6208.1901 2917.2582 1078.0405 6535.1162 79288.6075 25321.8204 42630.2407 8368.6243 34166.8462 28614.9280 68660.8360 121.3593 767.4423 3161.7661 26041.0899 23078.2929 6033.1639 30751.7551 32823.4459 2077.3433 678.3215 36013.1246 796.7580 38064.4585 26995.3414 40930.8235 27666.0612 30929.6147 33100.2449 25496.5979 14265.2344 78527.8213 2142.8788 54587.6608 382600.1761 638.7153 17694.5233 28996.8720 3064.3814 1005.8780 19964.5615 37070.8215 22882.6999 124.0227
N-hydroxy-9-methylsulfanylnonanethioamide 10262.2339 7563.9417 6328.5327 3502.4979 3161.9774 7536.6062 8422.9396 11433.0808 834.9688 601.2157 6236.9419 6236.1125 10281.9611 11813.6081 7833.7460 7341.7213 8275.4459 8455.9331 8838.2090 9706.7252 23868.8176 8374.6230 9035.1962 7825.8251 16351.1122 1565.8715 6841.0810 8986.4797 14146.9039 21426.7737 12268.1319 2212.3173 3912.5356 24426.1191 8948.0844 20530.7079 10065.2986 4874.3413 14047.1542 12342.0267 7310.7208 9523.5175 24300.1817 25624.5656 672.1648 30432.1242 10629.2997 9016.2964 5138.9613 2169.5916 7284.0100
Nicotinic Acid 41100.3895 25932.4745 39039.0213 34563.4317 59238.0512 19722.5538 12892.3399 71473.8559 63941.0095 43691.1381 36704.0674 21517.7528 30549.3078 5786.1062 108913.6526 14039.3125 28477.6554 52129.8333 42482.8948 26639.5145 14293.1841 23575.3034 8731.6387 65650.8322 46052.3806 49713.8665 54857.5115 7908.2471 26788.2756 17115.7879 34346.0519 28848.0012 45971.0540 30837.5882 39062.9155 62343.0147 26429.4966 26648.1665 50814.4567 73193.6682 25484.1914 60951.9716 30584.4887 53356.0467 56516.0704 42511.5816 25123.1626 35521.4751 64271.9766 59792.9021 27749.5950
Nicotinuric Acid 2451.9385 36397.5346 1006.6647 18014.0478 10670.1490 3806.1524 9865.2144 485.9453 15074.7849 929.6204 1693.2718 9258.8068 11007.2623 202.7653 2466.5447 20443.8871 637.2756 19329.9057 1168.7399 16059.0103 897.5812 600.2334 19436.7683 17678.3532 25709.4074 2368.4160 24021.6015 523.5473 9394.2686 628.5839 17078.7142 4018.5464 17631.1093 5973.9249 666.4128 15398.7225 1222.0593 15452.5532 13713.7733 1353.2499 31165.2493 383641.0048 1057.0432 2849.1171 10761.0829 35588.0448 8746.6739 1690.8006 26570.9282 10639.9688 3250.4866
Nicotyrine 5694.3607 31149.1116 6014.0708 7099.4435 1059.4426 8008.6801 13919.5524 7678.5287 4483.2253 9106.8433 7873.6846 1284.2957 6646.0994 2221.9965 5772.9907 6516.0595 2551.5694 11631.1042 15875.0431 2418.2524 2377.6117 6741.3879 5815.3712 8677.9674 7499.5714 807.6901 11040.5325 3261.5475 11540.5407 30748.1796 6448.6786 5812.4439 882.7880 377.2014 1029.9551 9286.3694 8469.1076 10432.2015 23271.3683 6430.2044 11027.3374 16939.3858 138.0704 5628.5886 10315.3963 2587.8242 6126.1616 2418.7277 2362.8384 7233.2849 7125.0805
Nikethamide 18005.6512 16944.5130 10546.1262 19367.4485 1477.3156 1737.0910 1967.5898 2608.0917 7813.4952 26592.1495 6499.7920 2575.1784 894.9629 21232.8313 2895.1434 11201.1805 1121.0764 1904.1166 7777.6317 4067.9376 7751.8497 56472.2420 2443.7140 10978.1172 7754.9382 8724.9920 3650.1541 16106.9467 19705.6916 792.4502 28281.1177 15645.2427 6991.6307 4539.7784 3641.8100 4523.4570 5386.5897 5039.4775 5708.1615 5785.2795 3694.4177 8216.3644 2379.9738 4442.4311 4549.4629 8450.2282 10691.9749 13433.7130 1106.1488 2355.5126 4925.0433
Nitrocefin 6232.0592 1188.6163 1935.6305 1311.4598 264.4291 4242.6060 1715.3759 6569.4075 284.4439 1043.8380 878.3272 4592.1818 1037.2086 969.0039 1672.5010 1293.8555 1161.2539 862.2201 1032.3234 1221.1240 1387.6378 1422.7141 1610.3572 1220.1637 1616.5049 8772.4214 840.5276 334.0971 4918.0748 1303.9721 1601.1044 4982.8524 2069.0700 1019.5752 533.1725 430.8069 1700.8446 1390.4994 1447.0105 1212.6039 1776.8274 1291.5350 1327.3122 254.0018 1285.3580 1337.9860 556.4643 266.6209 1125.7076 3788.2865 1274.2331
N-Lauroylglycine 392.5193 14356.1170 1624.0036 3212.5615 500.5798 1564.7330 1641.4849 2393.6150 2055.9950 3833.3373 1612.4072 1933.1490 1980.9248 370.7686 1854.0447 2214.5541 1704.2411 2288.7805 377.0350 1556.0891 1061.7560 2762.3167 1411.4785 2995.5421 1990.5392 2253.1832 1793.8055 3532.5287 2037.7795 3029.4970 2612.2043 166.1115 11942.9115 173.3350 1994.9276 399.7262 495.5313 909.0929 1562.8915 6314.0484 3888.2677 5781.4246 597.0244 301.3448 1728.5620 165.2898 2806.4428 218.5237 798.1701 2143.6913 1681.3386
N-Methylpyridinium 2045.0759 7551.9700 6308.8608 11056.4790 6770.2996 684.2408 7384.0631 45327.5610 7612.4464 10001.2661 8745.1197 2061.4290 8504.7795 764.7201 853.5277 7093.9681 6272.1902 8848.3952 13104.6747 8299.0567 11484.6349 8180.9816 6659.0859 2013.7657 3160.1863 4064.6196 21164.4148 7686.2876 2861.2412 10666.7128 11048.1587 7981.3754 7438.6856 8285.7176 7015.8515 4167.9180 10391.6079 6547.8773 10588.3527 24122.4805 3772.3822 3122.7548 37797.6150 465.2798 8918.9272 7509.5746 3002.5051 4952.8171 7340.1031 9733.2617 8645.9551
N-n-Butylpropionamide 2142.4371 3822.7813 1004.3788 2479.9862 5474.1949 435.8111 1791.4010 1758.8400 1798.7369 6097.8143 1623.9810 1049.3087 2383.6739 3771.4289 2016.2241 5669.4240 2648.6873 2663.6861 6879.2968 1909.2023 3227.4314 3511.7963 1757.6429 648.9612 5365.1780 3165.0767 3755.5179 2316.5066 309.1037 4401.9132 144.1542 1838.7615 3591.9232 1371.4546 2167.8842 2775.2067 4333.4691 2232.8319 7607.3604 3009.7262 4130.1141 1285.9838 4062.5738 3310.7212 817.7472 1021.7921 450.3084 1836.9591 3836.0958 2941.6853 2686.3744
N_N-Dimethyl-4-nitrosoaniline 919.4400 1154.1800 1028.0138 483.8460 967.2982 992.9392 106135.7436 1303.9501 826.1540 61901.6353 947.6870 847.2047 792.3952 961.1726 794.8253 651.9862 407.2535 2308.8641 728.0828 666.4573 695.3538 2274.3793 887.5450 532.3606 884.3052 1240.8757 1783.1392 599.9197 778.1846 363.0879 834.9939 1277.3208 1016.5636 873.0438 3630.7132 1967.8289 821.9135 685.5508 727.8578 764.0877 1010.8712 620.6569 1105.8871 1098.3126 994.9135 651.2980 994.8296 697.5325 783.3356 1175.8927 1002.5137
N_N-Dimethylaniline 117523.5154 5126.6698 54793.3655 271184.6334 243241.3378 404778.1422 123050.1120 72784.7601 6196.0686 4619.4177 205.9950 18109.9899 95795.9782 4700.4698 115190.7739 122044.7507 38366.8101 19375.9676 434.7898 113299.6854 446.1013 90238.2379 109526.4071 90140.7660 91944.3972 63743.0130 241755.6244 211.3402 266031.1411 60865.2631 82876.1552 115045.3971 128631.1033 127497.8083 76918.8257 229.9707 2705.8068 136753.4963 63108.9171 67647.4854 64329.2067 715.9305 104889.3738 73470.1439 141934.4413 124363.9767 88688.6272 130453.3002 51385.7703 70626.3727 35806.5709
N_N-Dimethylarginine 64713.9075 5316.7810 816259.2768 75048.7532 61471.0130 3788.6230 35304.1317 796.9489 70473.4532 7119.1112 745.2001 93992.0984 54871.9326 59866.3246 63305.9194 30092.0989 36915.5013 63455.1718 393.3477 51284.3184 7720.7438 5905.7415 28993.3429 42815.6074 1709.4126 57084.5224 1062.0029 104451.1387 870.5631 1516.7701 125678.9832 57402.5341 522695.9886 87254.3563 1045.0712 3491.9458 221.7475 547.6253 2404.2538 80432.2000 3379.8911 478.3472 1085.8314 1821.5619 88495.3753 78939.2352 51455.8037 48420.5571 635.6783 114.1045 114.6961
N_N-Dimethylhistidine 362.2522 380.0429 865.2552 1214.7337 1134.5425 1031.7596 1079.1009 155.7781 850.6034 714.6029 189.4768 1041.3854 1015.7986 747.2602 854.8089 150.6614 1138.5187 200.1702 713.8144 912.1097 186.8497 882.5375 1098.0456 401.1887 812.4147 465.8825 425.7346 993.5720 1783.6513 5629.0893 266.9173 1000.5993 291.4381 1190.3013 685.3017 327.8578 260.1625 686.4262 714.5990 179.6394 1758.9282 566.5944 936.4550 3731.5131 1120.1588 1340.8500 1107.7259 984.9615 212.9047 2458.8011 952.7266
N_N-dimethyl-L-Valine 12658.4616 146864.5972 37607.1751 520.3144 12398.1036 70171.6065 2732.2183 25985.0402 368214.0179 240304.9170 133391.5780 2328.2994 20761.5882 52149.5380 50957.2223 54481.8886 3910.2552 51425.9923 52630.8079 2014.7374 3236.0957 118689.4436 41796.4111 31011.1617 1751.2658 69556.3101 31725.9464 115895.3441 13585.8776 1398.2827 91872.2952 6355.5695 105236.6953 458546.9810 209784.0515 102375.8779 279017.8088 95420.4821 276119.2681 235276.8500 15648.5205 62490.1438 119837.2337 28492.2454 1032.5354 27394.3604 42938.5128 428.2757 399186.9825 82626.8114 101037.8152
N-Nitrosodibutylamine 424.5133 5706.2690 2441.2241 2375.7841 842.6996 444.0792 2336.3944 131.0417 5564.3420 2127.6842 9197.8520 2007.8453 1002.5401 6919.4189 546.8719 2733.7335 2447.9240 7195.1764 1736.9835 3118.4339 3499.2158 6612.3651 203.2738 1039.9944 2867.0006 3157.7407 196.7988 13381.3493 6275.7282 95.0858 3784.0147 87.3359 87.2191 10141.2319 15557.8086 180.4605 17862.7976 3760.0161 1327.6378 1675.0310 3461.1439 1670.8038 184.2428 487.0277 1993.2944 1835.0920 9774.4364 2522.7711 2647.3446 1830.5859 3451.9337
N-Nitrosopiperidine 1586.8186 1451.9476 1455.6362 338.2237 3852.6819 869.0976 2615.4362 366.2601 796.5892 1251.6069 9111.4147 7635.8275 2616.1880 458.2763 4985.7693 21878.4051 2652.3925 3742.1964 419.4359 3126.8864 666.7047 288.8223 1910.0255 4197.1746 1960.8043 1234.1660 863.7304 1579.3363 1000.5546 925.5247 4346.4184 3444.8187 302.2106 431.3869 9320.9364 1769.1928 5447.7280 439.6530 143.4839 598.7451 5116.6330 1288.0467 997.5591 440.8337 168.2722 3551.8435 1097.6429 717.5848 643.9711 5933.6158 546.7724
N-Nitrosopyrrolidine 5892.0261 6097.1780 6205.8322 6720.6145 7602.4303 5099.6564 6690.3688 6767.8279 5845.2623 5699.9623 6001.7905 5717.6715 5877.7699 5672.9159 5924.1898 5780.9816 7792.6684 5811.5849 5684.9555 6541.0940 5646.7631 7451.1670 7975.6580 5978.6135 7098.0735 6390.4672 4208.1761 7112.9396 6037.4540 6252.1664 7061.5823 4886.5726 6518.4448 8314.2944 5738.5486 5553.3566 5019.1150 4121.4091 6734.8424 6631.5812 4982.3655 6013.6824 3028.5522 6536.5112 8497.3204 7286.2902 6525.5916 7644.6648 5667.5786 4827.0651 7290.1524
N_N_N^_N^-Tetramethyl-p-phenylenediamine dihydrochloride 3328.6922 33631.0741 586.1165 6149.7338 1803.4598 939.7485 1488.7694 5526.4723 7176.7352 10518.3855 5765.3110 3374.7381 5187.3228 4466.6566 3053.8915 2169.9946 2831.9542 8295.7083 9206.7123 2812.2744 3132.3059 315.6692 3172.0576 792.6356 1414.9153 33760.5845 7631.9830 9818.9895 3318.3729 1992.2279 5967.0968 892.0820 5209.1535 1566.2495 403.3917 6502.6679 7582.1498 11441.2503 15167.1548 7483.5629 6524.5068 8614.4654 6546.3081 12748.5588 2972.8757 688.5500 10014.5701 1394.4714 7130.2792 5767.6840 2855.3475
N-Octadecyl-N^-propyl-sulfamide 6816.2471 13221.0008 15977.4265 12217.6242 15595.4110 7981.2655 16540.4915 14844.2929 13478.4721 13953.9117 14380.5259 12808.1144 14703.7861 13967.7560 11371.3496 16591.8595 6173.0801 18124.7472 14754.6256 15603.2571 6982.9062 8853.5174 16453.4492 16416.6600 8697.1164 12910.0824 10390.7534 17608.7369 9501.4264 7761.8429 16846.8771 17865.8899 16343.8696 17823.7310 8408.6904 6410.0931 18326.0259 16788.4387 16115.7423 12750.0662 16692.8548 16870.6092 16282.8161 13648.0408 16310.6880 15294.3574 5007.9100 17368.8267 5518.3118 16668.0374 8407.8123
N-Oleoylethanolamine 24787.3065 455.4448 4627.5019 469.9909 2797.1841 870.6951 1184.5911 110.7982 1096.5220 1159.8076 83.4189 942.6772 18686.0486 71337.0033 460.2837 2358.3902 58.6033 1828.9853 229.2594 3340.2299 55.9566 24450.6118 1466.4867 206.7726 449.1386 673.2589 784.6061 61680.5245 98549.1703 78.9975 1514.0379 352.4307 435.8533 432.6715 692.6138 372.9758 155.3539 822.7821 227.8038 203.4831 417.9725 452.5880 407.4239 130.1281 340.3592 25316.3691 26422.3164 4501.8764 250.9371 603.2202 1069.9792
Nonanohydrazide 3865.3813 2672.3542 3203.0887 1051.1871 4237.0041 721.8819 3006.0505 4676.5486 2356.1770 8255.0484 7594.6988 3267.5209 750.9252 2056.1649 3164.5063 3909.4777 2876.8835 4313.9893 4203.9326 2621.5371 6063.6885 4927.4146 2755.8700 469.8455 4369.9647 7372.0325 4391.6309 8336.5420 7147.9649 5439.2398 4674.0960 4730.0679 4953.2567 367.8518 3611.1018 6208.7066 8209.0431 3336.1675 6114.0011 16916.4810 5875.5476 7879.0639 5892.6789 4362.4374 3449.5827 3239.5552 2974.7412 2812.5355 12370.7654 4541.3329 1118.7694
Nonivamide 2825.8174 15656.4630 6823.1575 4488.4297 1949.2105 4324.8298 3575.0988 4197.5834 253.5223 2743.5959 3672.0011 4000.0569 6611.8221 6399.6326 4904.7688 4566.6805 3453.5257 10195.6909 8334.6273 3502.3624 380.3295 4104.8877 3467.0442 4774.0238 4443.6139 64737.0312 2355.5320 8119.2070 6352.9081 5979.4352 7179.0421 268.2945 4660.7450 572.4529 3921.0317 5047.3617 3057.2975 1030.5564 5221.9099 3235.2528 252.2864 3201.7123 2915.9145 253.9902 3455.8572 2652.5810 5536.7574 3112.1745 1418.9407 270.0582 5971.9150
Nookatone 3519.9812 1306.8730 2829.5539 4156.3869 3107.7483 3621.4223 5272.9177 3216.0154 3692.4454 3312.1760 3403.6895 4909.6663 4159.8312 2821.3991 6411.0571 4837.1409 4786.2791 3174.8103 717.9164 6012.0608 8018.8459 20231.7821 7034.7787 6001.1719 6773.6055 1643.0445 2956.2199 1884.6545 278.9200 2453.8546 706.2511 5300.0907 1497.7838 1375.5024 1436.0070 4219.9904 4155.5518 1495.7722 6203.6750 998.1738 2556.0948 1482.5930 4947.6113 1794.9983 6295.7236 4032.0380 266.1242 5088.0610 2317.6499 8024.1963 5522.9233
Norcodeine 12142.3161 51725.2254 15811.2599 165.4528 289.5667 9328.7083 124.0466 13107.6288 10971.7333 632.9091 4180.2065 22369.9889 14458.5281 15998.1462 2197.4553 4230.8136 1672.9459 10866.0057 2720.5025 24676.2662 615.7844 2695.4800 815.4590 86467.6071 25734.3565 1834.6599 128.7732 15706.5355 120.2705 14057.6122 543.0405 15390.9581 18907.3667 149.9692 10839.2165 16493.0994 5720.7539 492.7424 27825.2509 26295.9428 255688.6644 34158.1962 27501.6163 1515.7057 3200.3173 16992.5922 2559.7982 4988.9566 19063.2064 16950.7665 11921.2806
Norharmane 4303.5259 3936.3338 2356.9828 3051.3844 284.3399 3098.4033 2933.8904 3191.6099 3235.9268 3241.6044 2008.7332 4268.2687 16612.2625 4148.7722 2925.9824 1445.1440 3132.0483 3238.3029 2996.5857 3596.4543 2744.3849 263.2497 3172.3334 1329.9090 4451.3788 2825.3935 3310.4138 3260.4680 4523.7711 2517.2119 3338.4748 1522.9266 3961.7866 1389.8543 3611.4385 386.2652 1987.8092 1066.6515 3030.6209 4960.3017 10451.7337 7814.8581 2194.3222 8369.4053 3059.2522 2715.7407 276.6503 2821.0898 1925.8061 1656.0179 2826.1847
Nornicotine 2020.8945 130.6685 1718.9018 2099.7847 1075.9288 1719.3542 1832.0429 2078.7796 1823.9807 3356.5809 2675.9332 1715.1365 1766.0443 523.1136 1194.5058 2018.7544 2125.3441 2091.1312 2536.4973 1658.3402 1813.2115 999.2697 1822.6219 914.4652 3871.1174 2146.1738 2399.0916 1829.2868 4838.2575 5312.4998 1159.0288 2174.0988 1618.4526 2509.8807 1324.5775 1831.5651 2043.5292 1249.2924 2671.8298 2410.2204 5752.5990 6440.0093 3937.9583 6131.3411 215.5564 909.6532 235.5286 1086.9617 1270.8621 2525.2654 1883.3163
Nortriptyline hydrochloride 10461.9651 2076.4312 7574.6419 10649.6146 13554.4525 4891.5888 5334.5876 1768.4561 9209.1834 22097.6152 13474.2407 5703.7467 402.7830 10929.8662 18599.9250 88743.1419 1074.5873 3122.8994 1793.4975 15522.0139 1831.1860 4077.8574 17621.4810 9171.8597 14108.3127 15784.3139 2988.4813 8403.0101 13338.0513 3005.7826 12337.8667 12508.6766 3971.2610 9364.1865 14590.1669 7917.6530 13530.6583 8994.7742 12732.5850 2434.1756 9245.8424 21463.3734 3574.0150 21460.2884 9794.2023 70813.2101 39283.4763 16787.5306 2752.7625 10708.6957 8696.4264
N-oxonitramide 841246.5658 4733568.3880 952272.5409 508755.6254 758879.1397 1202012.5040 887710.2455 576246.1140 759501.6192 843024.2572 483185.4222 608396.9435 4330400.5110 3988322.1880 784329.4127 1061063.9000 5829735.4660 603701.3853 1035760.3130 845682.2301 523446.4645 2161777.8860 4056170.6380 794655.8292 5751388.7580 5685532.3760 554644.8877 3900280.3480 2736437.3420 1074739.9480 2151805.7590 1262754.7860 530492.5393 602705.9734 747691.6041 538160.5188 668104.1722 931965.8875 718960.9407 695134.5373 923513.7647 3179359.8730 876679.4640 697370.7387 636721.0918 1433829.5860 1141559.5370 1476009.7600 300900.8439 944085.7224 540410.9546
N-Phenylacetylphenylalanine 665.3792 442.3773 5406.5323 727.0227 25860.7196 1945.6162 1046.9895 9249.1322 25443.1487 4370.8124 606.7666 941.2633 1251.7235 2936.4396 508.8846 272.6834 155.8491 581.6669 172.2985 686.8703 11875.9070 5146.6810 5179.6040 44037.6264 3455.6414 1524.0513 2071.2489 222993.4795 5052.3482 72007.4309 247.2153 3416.9148 9257.7842 1160.3794 162.2733 2082.4906 16499.6581 5492.4356 1902.1087 416.1604 4464.6093 520.8889 3607.1298 1526.7944 1131.3978 8096.6492 4837.8296 8674.5263 396.3553 2741.2997 28.9610
N-(Tert-Butoxycarbonyl)-L-leucine 4874.6020 5092.3078 3347.1191 2812.8368 1978.7426 992.0110 1301.6672 924.1626 2751.5176 4660.7061 3724.9003 3302.8985 633.0492 4471.5474 804.9281 1765.3330 1717.2028 2557.0678 2778.5130 1675.4209 3931.0954 619.3363 141.6009 3251.7360 2182.9008 1224.1887 2364.1612 3556.9900 2438.9311 8163.3142 2654.9481 2961.6968 3386.5215 3283.6631 1589.5580 2619.8922 3741.3928 4463.9656 2312.9107 971.0320 10356.1430 2505.3159 1390.9734 2617.5647 1346.0173 3153.5739 3109.0146 968.9304 3664.2957 2968.0218 1701.5323
N^-tert-Butyl-N_N-dimethylsulfamide 20132.4537 109738.3203 58425.3276 194433.2942 49688.9742 41189.2931 38303.1172 91150.4072 61150.0983 97833.4232 79816.9262 54583.9917 54200.8859 25455.8743 29344.6164 100569.7943 24758.0758 79154.9864 46830.6891 56520.0715 169568.2647 73095.7237 69900.3096 84464.7495 137714.2595 45501.7909 77567.7867 53824.5205 69700.1591 217518.9451 59662.7755 67688.7205 140170.7202 141234.3764 37969.9068 101113.4059 64253.3152 59340.6918 127058.2019 105689.5565 81409.3455 99047.9658 100496.7939 148854.9899 115696.1746 129148.8950 87195.3928 37481.1261 119541.3281 118148.2639 37626.2046
N-Undecanoylglycine 11332.7382 8841.0510 9041.6640 9180.8001 11080.0772 10795.2777 13101.8532 10070.0748 6893.1270 7367.5671 7900.1157 10885.3001 9841.4151 5612.0476 12768.2439 10935.0286 11855.8799 8381.8710 4975.5838 18153.7817 3955.5848 11044.5202 12363.7794 6602.7307 9293.2788 155.8540 8650.6803 5697.0609 7043.4487 5064.6327 5494.6681 10171.6328 6139.8869 12000.5600 7755.7277 6979.8836 4190.1090 8285.2219 5747.3884 7411.7386 4903.3899 7297.3504 6619.1356 8171.2564 12384.6871 11044.9021 8420.3482 11697.4533 3197.2176 5529.8117 13126.7699
N-undecanoyl-L-Homoserine lactone 664.3875 721.2125 982.9104 748.5336 179.8571 1502.5374 977.1411 382.7662 1316.5333 589.7762 1323.6261 353.5424 798.8294 2285.0176 141.3268 1139.0956 871.2894 1027.6196 665.7039 847.4850 4576.2135 1041.5829 1039.9522 2769.1350 1139.0486 1600.9082 560.6145 1660.9628 1253.5200 2038.9990 928.3933 943.4939 2072.7857 486.4555 336.6110 1446.9374 391.4590 301.4616 2815.2246 2196.7218 11304.2030 1781.2540 978.6679 978.0635 785.7564 472.5036 2872.0788 607.3409 1130.6135 1902.5074 882.5237
Nupharamine 709.8916 2818.6550 1127.9416 904.7497 851.9332 368.0218 848.4210 1084.8015 1233.2128 804.3158 1185.2918 739.1983 1048.3237 2023.8464 1187.7257 2290.8328 1037.2380 1335.8871 1176.3401 1020.2338 1331.7016 1238.3840 1113.9680 1038.4877 1299.3273 1406.4323 459.9725 1256.9639 1310.4377 201.8387 2325.6037 1256.6549 1118.9848 2067.0567 1531.6416 1187.3505 1565.9892 442.6002 473.1175 991.1789 217.0008 1145.6665 560.1795 1197.6790 1103.0089 1324.4635 1122.0906 286.8211 3124.3917 1173.1583 1849.0675
Octaethylene glycol 4049.3333 3060.4660 7223.4816 5583.8273 3835.6169 3964.4779 7769.0714 6725.6488 5092.6958 3808.6020 4610.1987 4224.7117 4193.1876 8577.2484 4000.0049 7152.7542 3176.6773 5478.9294 4983.0437 5209.9466 5382.5661 4042.6732 4996.1546 4859.5770 3514.6939 15220.1573 5810.5700 8210.2201 5006.5937 19569.2395 36933.4048 15874.8890 4638.0038 6972.3185 7038.1710 10137.7707 5376.0977 3935.3691 6333.0243 20430.9451 5722.1152 2519.9340 4766.2577 4465.0096 7916.4382 2653.1295 5097.8216 3944.6808 7194.6670 2777.5102 5023.0920
Octodrine (2-Amino-6-methylheptan) 30463.7252 29885.0057 31238.2533 29490.6601 30588.3676 33993.2858 42275.0430 27415.5919 20376.7412 21325.1944 27780.6309 32479.0468 37398.9416 26197.5474 46231.4414 30874.7590 30854.9995 17595.3802 15096.7524 45585.1265 17608.5587 31325.6639 48053.1032 16535.7377 29846.8793 15553.6709 32062.2414 20560.6547 28525.3377 18128.5410 21136.6237 35203.4085 19253.0893 35589.5614 27669.0924 24355.7775 18619.1832 26545.7869 21495.2027 26473.5176 18597.4129 23762.6524 27812.5669 27625.9835 44311.6425 29710.4056 31288.8531 41504.9220 15527.6825 23685.4646 37410.1994
O-Isopentenylhalfordinol 4089.6592 5455.0689 7859.8021 2810.0749 4314.3953 4839.2902 11745.9851 3917.5750 3662.5288 6296.8359 3859.6402 3126.2737 3633.1888 4111.8573 4646.3425 6552.8571 425.6629 414.3535 4348.0900 4491.7774 3494.4029 4185.1949 5376.7844 3675.1433 4054.4602 4168.5810 6519.9917 3584.1537 4197.6089 2525.5596 4622.7380 4795.7104 4947.6396 5026.7422 1592.3555 1881.1250 2765.6949 5203.7499 3596.8378 2550.2506 4072.3151 2153.5758 562.3104 1195.7542 4751.1367 4493.0557 4343.7203 5420.4617 5190.1206 3067.5332 5192.6567
Oleoyl Ethanolamide-d4 64624.1567 21610.2681 103770.5594 22532.4741 87063.5703 117419.2822 102767.2075 107489.1973 45581.5764 21312.3450 64144.8703 119719.4149 33282.4832 49549.9111 145603.3700 78911.1909 130190.2619 58646.4748 36534.0373 78961.5735 33578.1058 70303.4499 147792.0591 74682.9645 92080.6670 84018.8488 44107.1837 57452.7513 88958.0516 2744.7960 56611.5642 166178.4777 69235.2539 154282.3655 85038.3639 54062.9149 45688.2416 43571.3164 32300.7065 41020.0203 41995.4156 19591.9306 66891.4241 40895.5032 70535.3581 72761.1425 48363.0502 78748.0959 49637.8659 77706.7963 99668.6289
O_O-Diethyl hydrogen thiophosphate 45999.5357 123422.4023 47705.5656 72116.4223 55128.6210 58952.2083 54151.5707 54519.6813 30792.6925 40726.8595 14521.2454 62642.6882 66659.8937 35908.5995 56099.0874 58525.0889 25031.1761 115212.1572 44450.8857 45524.1693 13417.4029 110746.1185 77679.0222 82575.7427 55705.9016 86730.3011 102968.1690 15220.8193 70381.0916 7137.9585 11989.5217 52527.3581 52115.1153 53961.1817 106222.8159 50181.4627 66996.0246 64170.1840 44770.1346 54484.9102 23093.8888 49903.5954 55600.6837 55669.1346 127220.3241 63002.8236 57576.6805 47973.3272 102247.4562 34455.3993 61083.8335
O_O-Diethyl thiophosphate 17506.6545 87099.7583 29304.6945 19959.3557 96866.0385 17243.0130 21740.5052 18047.4315 22821.5975 12974.4256 19021.8796 16295.1678 26401.2770 17298.3941 19788.2491 28892.2020 22111.9578 18179.2020 18816.1863 26522.8841 14526.6216 21452.2687 23394.5276 23795.6288 24751.6537 12989.4123 85976.0755 18759.7607 23386.9569 15513.8811 18576.6512 21113.3760 20317.9011 23233.8087 24815.5923 100960.6187 10826.1286 26097.9579 15324.7201 21431.4755 12993.5808 13826.7084 19537.7145 18403.9788 23055.0981 13928.6236 30442.2399 24073.0317 21042.9983 22360.2288 18323.4284
Ortophosphate 59727.4791 65094.9924 59598.4022 67252.0840 67035.7973 63619.5844 64993.5725 66559.6921 66456.6845 66548.5131 67255.6027 62299.6065 65676.0851 62082.8226 62150.8763 71012.4315 62929.7669 64134.6254 60489.9916 64359.4511 65660.8726 64732.4567 66824.7718 67156.3938 69621.7113 65181.1147 70442.3646 63904.1305 68352.5735 69168.5597 67007.3874 68739.9213 64553.3619 68674.0085 70415.3477 67484.3415 66854.6954 66884.0870 70132.9510 63262.1849 66551.0519 65367.8239 68165.2182 69109.8862 69312.5383 69452.1423 66995.4677 66800.0117 64429.1707 63051.5338 63944.0741
O-t-Butyl-L-threonine methyl ester 647.2899 1099.3300 3173.9959 41.2578 115.2713 253.2031 6787.6165 189.2017 2087.2807 1243.9823 34.8784 1611.4629 16773.7069 8991.7426 1837.8504 2887.8490 6411.2690 181.7308 85.3662 48545.0190 533.6754 664.1289 26496.5692 167633.9144 33787.2415 597.5623 49.3440 15761.2940 645.5832 211.8063 543.9156 353.4803 388.4801 2546.7734 357.3535 346.3510 3043.2126 288.6969 233.0096 95.9009 174.1642 101.7474 70.0114 10663.3883 201393.3141 1389.2531 120.9830 314225.1738 1180.1665 1373.0062 16801.4834
Oxotremorine 22565.4392 4909.6221 3638.2673 2921.1389 3632.9113 3907.9166 4048.0693 5757.0755 2526.5549 3182.6201 381.2935 4427.9027 1748.0096 9961.0354 1838.8828 11305.7571 3714.2363 3239.1207 7343.3491 7388.0348 2759.1520 1028.8521 3820.8147 918.1753 5382.3378 1001.7304 469.1973 1897.5886 2140.0991 3565.3278 14684.1663 1812.7583 3783.0877 1057.9303 4297.9560 995.3964 2445.9826 3490.3706 3383.1175 863.6110 1987.2546 1789.8625 3327.3722 4098.0227 3370.2495 2121.3707 1782.4452 3918.8017 424.4186 2324.6943 386.9389
Oxprenolol 10953.3329 83667.5417 384.8377 4874.2608 7042.1469 615.7631 215.4983 5575.1518 5958.5858 25525.6342 10373.2757 5470.4650 569.8177 4641.5699 1105.2524 1412.5816 1750.8962 3385.4808 7512.9986 598.5212 7995.2537 1542.9974 998.0821 2399.1916 8774.4863 4635.6306 10492.0884 2752.1445 783.8371 6728.2692 7063.1048 6665.0615 3491.5422 4631.6135 1126.8324 5088.0528 7535.8378 5049.2745 20823.7324 13412.7777 28633.3474 21690.0572 4598.6751 6004.1723 1567.6239 3481.5138 14525.9235 910.5594 8228.4618 2626.9591 997.4816
Oxycodone 32821.3458 5722.7328 30100.8339 6211.9703 76537.5759 38413.8068 75029.1977 72783.2483 62393.9373 7138.2551 1090.9884 12925.6801 47889.2660 17351.9024 2513.0898 26268.8920 14536.9074 1982.7926 3493.3253 16899.0403 3666.4499 98280.1042 14418.1174 80575.4922 4800.0450 7509.5081 12650.8309 26738.2632 41640.6192 99178.8649 18060.4885 46484.0825 30183.5582 2494.1555 3743.1039 5084.7823 2808.6838 97999.4227 3078.4651 3488.1205 5552.0445 7921.5997 1928.5604 1618.7673 26933.7118 76801.2545 93543.1767 32848.6094 4516.3602 3359.4439 30522.7912
O-Xylene 3618.9740 315.7249 2672.9729 17362.8211 4433.0176 6283.0131 1759.8088 3881.5624 2589.0967 428.4818 803.2428 2473.4566 4475.2059 2846.8464 3172.9606 795.1254 3058.4663 830.7855 670.7105 3257.3829 2249.7728 3455.7593 3223.4035 3183.3271 4150.3372 346.8281 10136.6745 2842.6954 3636.4703 3170.7522 4248.3467 4009.0930 10880.4503 4179.0062 3005.8391 368.6362 436.5719 4200.4458 355.7220 12308.6515 4946.7605 1103.5478 7223.7609 3835.2730 3734.7813 5304.7747 3415.6747 3700.7781 3871.5096 2563.4424 3196.1767
Ozagrel 3878.9496 3401.6771 3486.2863 2313.5354 3831.7427 2243.0603 3294.2655 3150.1228 1953.8451 1473.1797 3010.8281 3005.3962 4086.8333 2353.6574 2336.8146 2325.6873 3159.5304 3436.1777 2590.4360 3837.2937 2790.2444 3197.5246 3252.6110 2320.7756 4648.2874 2910.8995 3352.6722 2826.2245 3185.2603 2608.6994 2851.3919 4340.2208 3255.2823 4435.8258 2645.5425 3687.2322 1979.1981 2520.3985 2989.9567 3454.1818 3379.3446 2065.9215 5053.3582 4274.6449 3930.3795 4112.1789 3071.2708 2014.0956 2757.8032 3923.2477 2230.5260
PA(22:6(4Z_7Z_10Z_13Z_16Z_19Z)/20:5(5Z_8Z_11Z_14Z_17Z)) 1328.7590 1385.3105 2704.0921 707.9682 1072.7729 826.3175 709.2766 3967.1496 13588.9989 10743.7375 3560.2992 958.8056 8921.9303 3915.8202 1331.1716 663.7272 1291.6689 30821.8310 13495.5828 586.9016 1925.9395 741.7085 1244.2777 774.7872 257.9113 94464.0994 837.0974 18187.8356 1455.8404 2448.3281 3038.5811 3592.8427 494.5860 3651.6602 4238.2683 27883.7119 5183.6390 1500.9194 1067.1526 2984.1495 1918.1863 751.2076 2424.8858 6051.9765 810.3344 1573.9528 1490.7824 777.4765 11620.9692 1547.2635 2919.2083
p-Acetaminobenzaldehyde 415.5626 13492.5364 4622.1942 11743.6512 573.4969 1136.9107 3426.4599 16658.9216 1477.4466 225.4753 7445.8977 3337.1768 5571.4345 188.8098 3878.6677 4713.2209 187.7124 911.4374 4127.0922 3230.3423 199.2995 4500.5214 2778.3894 12502.8122 185.2389 21310.8730 17240.9874 11540.5416 2584.0623 6120.8101 6503.0934 226.6669 2598.7116 2469.7421 3681.3759 7555.2094 4954.2194 4913.9004 7564.4135 11281.0401 2663.6636 1158.3214 4643.9090 9311.2983 3929.0931 1472.8785 7333.4849 207.4731 8164.1482 3548.9643 4012.6520
Palmitic acid alkyne 3846.6324 1120.3328 2591.0559 6887.7259 3938.1578 7210.2695 3918.5986 877.9491 1950.0938 2904.1360 757.7569 1989.9750 672.8835 8073.2793 1528.0140 11065.2199 710.4108 2315.7822 111.5473 895.1529 2685.2781 2474.6370 1777.1956 2778.3539 667.4065 1404.7555 5300.5819 2348.7084 5028.8485 984.1245 4257.5143 1519.7539 8949.5958 6304.9933 2753.7957 2744.8025 2202.7120 3204.9217 237.5238 3687.0571 589.6495 523.5892 2575.7126 420.6636 733.0126 341.0397 2116.0753 7285.5235 1690.1597 263.0459 4294.0957
Palmitoyl-EA 12072.5287 1050.9208 3091.3527 466.4867 972.0482 2036.3176 732.9091 164.3441 866.9731 1003.1297 162.9796 922.2415 5829.1451 45739.7391 420.6050 4543.7319 404.2075 3737.8174 644.3952 2256.8917 129.2401 2156.9538 640.1941 405.4409 791.4185 493.0234 2012.0322 23396.8624 35131.8202 43.5019 1779.4994 413.9343 379.3481 284.0908 1097.9215 452.5655 622.4484 1876.6798 353.8767 399.4955 99.3352 690.9281 343.2268 213.2103 652.0760 12198.2946 12607.1684 889.3387 335.2276 763.2510 1450.5945
Palmitoyl ethanolamide 1233.1917 1911.8367 2835.3019 1340.6076 3169.8957 4226.2124 3737.7802 3335.1734 1181.1869 1384.1337 2393.4958 2658.8006 543.7993 1399.7737 3833.2914 2511.5504 3600.4077 2443.8102 1281.9841 2516.8026 1248.9383 2583.1980 3752.7183 1666.8474 3632.5162 366.2010 2067.0034 1858.0565 3676.2783 924.1044 2100.4435 4617.9318 2312.5384 4700.2459 2874.3298 2329.9524 1278.4130 1850.7893 1082.5902 1232.6659 691.4733 1710.0398 1852.4491 1961.4179 3238.0480 2282.3669 1092.8047 3137.5475 1814.9150 1522.9085 3764.5258
Pantethine 14485.2813 6413.2755 506.8523 5795.6365 4083.7644 4935.4240 5533.4293 7958.9823 38479.3435 2721.7357 237.9963 7302.1061 6926.5750 10211.2635 3565.6601 431.2875 1024.6506 10627.6276 13624.5598 12718.0228 8766.4590 6212.9035 8061.5125 9071.5155 3230.7808 26778.7691 33931.4193 9866.7018 3971.1653 9083.9643 984.4803 7690.3083 8087.4277 1892.0163 2199.3506 4532.3684 8196.5720 4140.6141 925.1027 8231.9026 8125.6432 7412.1839 6251.2895 2205.6657 6012.4223 6824.4469 6561.0595 3962.3799 10569.4879 12498.5032 6381.3133
Pantothenate 566768.5189 21324.6974 39455.2413 43953.5264 22153.1148 2153.0334 11538.4482 57457.6353 49244.5692 28341.1307 25398.4318 10604.0708 10831.1207 4078.8969 13035.0066 161608.2244 19770.6187 58032.3519 81420.3881 17266.0288 11499.9935 39712.4267 3281.3429 119213.0647 46349.1640 32121.4183 28273.6922 3126.9258 14168.2104 45882.2941 777024.9554 67539.7645 39656.3659 17187.3148 86776.6457 62608.8016 64025.7727 49527.4468 43527.2990 26329.2342 174863.7417 16320.5050 20286.9711 110475.5185 12600.5100 12657.5405 11663.9119 24897.4341 114910.5452 23522.7636 6250.9575
Paramethadione 3173.1760 2433.9302 3020.9780 2364.2395 3218.5891 1739.6866 3855.2234 3238.8756 2961.6039 2326.8932 2314.7490 1205.5621 3653.7391 2302.9935 4901.0242 3783.4170 4586.7279 2937.6761 1806.0620 3878.1296 2301.2732 3792.7997 4343.7846 3382.2737 4523.9118 3090.2825 3163.2443 2303.6456 3795.3536 1983.7892 3695.4640 4556.0132 2377.7966 4949.8167 3993.7031 3510.3796 1238.4442 2527.7550 2137.7881 3092.5855 2126.2054 2045.1491 3769.1808 4111.1330 4860.7464 3489.9400 3573.4028 2639.4794 2452.1123 2954.7754 3853.3306
PC(14:1(9Z)/16:1(9Z)) 1005.3847 17291.3877 1164.0996 3794.0649 239.5041 2483.5622 4004.4444 562.1799 1955.2478 7392.2070 760.0015 781.8079 1221.6334 8426.2807 119.9752 651.5747 2244.5582 2636.6919 6141.3004 236.8340 4217.5899 106.7787 3782.8535 1363.8901 6210.0782 2773.8998 7636.0264 26747.7369 2246.0101 414.6422 11274.6220 1153.0547 8480.8042 1919.0363 1940.3730 1407.8095 1366.8381 412.7636 107.3274 1113.1556 70393.5979 4124.6988 113.5015 713.2982 3348.5467 5371.5682 7826.7681 2374.4374 1425.1369 1308.3535 610.8596
PC(15:0/20:5(5Z_8Z_11Z_14Z_17Z)) 1064.5075 9572.5169 10449.5733 9749.3767 1442.8667 4304.6449 4429.2762 4063.6037 27112.3569 31222.5255 7188.3615 455.7386 15030.5629 2268.8823 10839.0071 4778.9794 3822.8067 87913.2119 54432.2468 5797.0108 5114.0793 10662.2539 6417.5690 12856.5459 11377.5521 69937.5663 4480.7203 40299.3647 3792.1704 15751.8666 2449.4318 10635.7489 10350.9165 4679.2751 14287.1846 24887.7360 10646.8343 752.2835 503.5575 685.5784 117.5147 4290.6970 390.3000 23127.4398 5714.2449 6433.4244 1297.3540 5084.4959 12899.3091 11979.0397 4931.5279
PC(20:4(5Z_8Z_11Z_14Z)/20:4(5Z_8Z_11Z_14Z)) 534.2522 3867.0804 4320.0271 5464.1583 1076.2445 1459.2567 1745.9464 1377.0015 14659.5877 13464.4694 3371.4725 107.2362 214.9558 1338.0969 3404.9289 2285.3774 1904.6623 55305.7872 34721.3356 3203.5631 122.3322 4817.9102 3131.5278 6780.4960 4118.9252 51612.9188 3436.2561 17931.7438 319.7381 2236.5221 954.4798 880.4046 4601.1456 878.0096 5290.6525 15542.5067 7274.2450 119.9184 277.2126 1015.9999 140.7909 260.1285 2695.1205 10576.4331 1605.5121 2599.7748 244.3663 1690.0475 12216.1460 4805.1090 1450.3770
p-Chloroisobutyrylfentanyl 1202.0575 1501.9024 1948.1554 1391.0452 943.5298 1068.4546 1400.7103 3354.5946 2084.9656 1208.6037 2092.4064 1084.5655 1412.3502 4921.1341 1152.6349 2580.3820 843.8703 136.9735 2127.4342 1456.3373 2093.6943 1111.2885 1338.1196 1165.6131 1216.1791 5702.6875 1363.5770 7784.0467 1693.8905 5813.3308 13740.9611 8267.8377 2583.9910 2408.6990 1853.7935 3504.2609 2346.3181 853.1468 1888.7053 6696.7583 3912.3306 1041.8521 1804.2861 2618.2950 1364.9101 793.5862 1961.3752 1554.2677 3094.0496 2208.1628 1965.4492
P-chlorophenylalanine 29540.0539 27944.7151 32286.3510 27560.5799 29408.2536 24840.5197 30996.4193 29658.9022 33832.4043 29953.9558 27206.1639 26573.2826 35178.2343 25822.1806 32717.5314 30702.6217 33613.4483 31153.4450 26138.0252 30935.7722 28608.9634 32813.9625 35370.9652 30279.9078 34470.8789 29730.6171 30021.6724 25995.2624 29942.8163 28052.7794 25593.9572 32722.3263 26363.3159 26584.4281 26646.0690 29952.4191 24239.4735 28091.0569 28075.5029 26847.5258 27834.8236 26626.3510 28398.2628 33700.5408 36906.8533 33303.5035 31842.6928 32797.7199 27413.3437 30595.2210 29202.1776
PC(o-22:0/22:6(4Z_7Z_10Z_13Z_16Z_19Z)) 1048.4882 1930.1771 1972.7294 1646.8812 2224.8548 2897.4463 3536.4778 1656.0996 1929.6247 2109.6412 1767.1433 1971.2313 1347.9626 1767.5373 3644.6833 3260.9137 2039.9370 1838.9896 993.9900 2765.0258 1249.4738 1400.0801 3472.6769 2684.9206 2294.3246 1567.8452 2312.7119 2851.9525 2102.1068 2083.1372 2223.0426 2489.3231 1944.8276 2889.9663 2158.3983 1642.7516 1558.8320 2250.9637 1684.3287 1984.9209 1926.5523 2390.8659 1711.6839 941.5221 2625.1296 2873.5818 2232.2819 2838.2783 1515.7987 2722.8446 2457.1571
PD-160725 2-hydroxyethanesulfonate 130.0700 704.6913 127.4248 1688.5745 598.5124 721.8673 834.5661 47628.3816 134.6064 1608.1565 28358.4651 32755.6581 39361.3436 28920.0353 34300.4917 52682.1145 750.2835 90820.6905 72200.6103 42444.3049 161.1126 3297.7559 34861.4405 63482.6987 47766.7261 5525.7685 143560.8309 290.2296 60155.3582 1168.9496 38525.2206 513.7899 109831.2895 57684.4558 5245.2960 350946.4124 150.8713 14988.7448 1222.3251 14722.1503 301.7853 646.3387 66768.7967 220639.2279 42791.0300 44160.1940 39973.3172 33521.7108 61834.8894 45479.9014 28742.1475
Peimine 1091.7184 41280.9459 16445.1318 53780.6691 41055.0445 2032.7805 958.6794 3861.0435 32043.7830 25687.3963 28637.2275 11074.6261 21049.9704 14907.1709 2629.4755 417938.1826 22709.4719 19528.8073 3563.5021 34166.3857 31688.6603 46049.4778 984.6170 56608.6762 42414.7349 1469.5180 578.5444 3286.0848 54948.9134 319.3221 33172.3461 4275.2590 33180.7812 47893.9192 2594.3168 1104.5461 2341.1452 2011.0381 34546.3702 24544.3215 55224.0429 56525.6710 41584.8967 28483.2142 44578.2257 78007.1743 51717.2864 3528.5823 19310.0153 152992.9216 21154.3232
Peiminine 23511.1543 484.2280 42152.4435 111215.8449 2840.5072 760.9516 11873.3622 92223.0950 4998.2252 2063.2836 7034.4097 47007.9302 118191.6159 605.9458 26719.9344 1246984.6620 7278.6642 46571.8708 20067.3533 92866.6777 47560.8482 156473.2704 4490.3795 94871.3444 49023.6303 4968.1632 3804.3196 11525.8296 78341.2599 110186.5961 112164.1075 24789.8526 92122.6755 129745.6694 12429.4574 75282.4495 4562.8419 13793.5571 133.2668 1967.5541 95249.3960 1337.5367 49510.8898 50321.4511 111.4474 3934.8103 83276.1698 45377.5062 469.4186 368897.9369 108757.5201
Pencycuron 316.4479 2629.2957 2070.4643 332.5686 1581.7911 2231.4248 2467.2785 2831.6083 1685.4553 6981.8237 2018.4509 785.8905 2165.9638 2625.0867 2886.8351 2750.2752 1920.7712 2224.5868 685.2738 2234.8350 2229.3356 2795.2118 2682.0690 3028.6343 3283.1220 4031.3734 2237.2811 5219.5290 8649.0911 2286.1697 2854.4767 12105.3568 2446.3134 3542.7213 316.8484 6428.8907 1483.4562 3024.5277 1014.2924 421.1349 2356.3980 3456.9956 2579.1149 323.6490 3056.5226 2915.9255 1661.0757 2726.5914 1758.0933 562.0041 2389.8801
Pentaethylene glycol 7605.4588 5336.9036 2495.5720 6742.2091 20255.1476 13845.6179 8723.7765 2101.6254 6024.6641 2129.7156 5107.0546 10898.0915 7730.6989 8119.1365 3266.6880 6949.5431 7972.4916 6581.5730 2592.7033 7313.6714 6021.6891 6399.0930 9467.7747 7010.1137 5980.4696 6515.6033 4292.9252 6988.3796 8420.8068 13674.6250 7610.2171 8999.4023 5846.7891 9967.2483 6502.7392 5422.8880 7288.9701 7102.9668 5735.9765 2988.6860 4794.0592 4159.2863 3567.9009 6785.7459 7886.2793 4174.0524 7132.0019 17216.5538 6888.4258 10364.7022 10058.5526
Pentapropylene glycol monobutyl ether 2062.7141 3669.1157 324.7697 2392.5361 327.7853 1612.3468 1493.8875 2238.1946 1517.0315 4685.0830 728.8102 643.5603 2631.1820 3403.5483 1630.0953 3149.0568 2856.6262 7446.9338 27960.4397 2115.2523 784.7478 628.2924 1864.9794 771.6066 449.6295 7553.2751 2208.4600 4381.6820 813.1521 1885.8133 2855.8804 3209.6915 4896.1032 4228.5141 2307.3418 5369.1541 3271.0142 2315.4191 2573.6230 2777.4564 6967.9545 2949.8014 2490.6324 3164.3500 2125.3038 2213.2946 400.9772 1740.4848 4302.9105 343.3872 3221.1663
Pentylenetetrazol 7713.8294 5788.1765 5626.5893 509.4743 9030.3600 5049.3205 6382.2819 3127.2836 3609.8903 9502.5669 3693.5844 5569.5130 12479.4023 6827.9193 6891.5401 6281.7914 7199.9681 681.1955 4171.6799 9567.2600 2106.8704 5630.4980 9582.5195 2769.6775 44360.0042 17858.7676 14443.7974 9489.6131 6466.7526 9306.4256 6307.4835 18961.3366 19738.0101 14984.1762 2230.2642 10178.8762 7034.1068 7611.4589 26567.8580 19261.8270 20614.6822 5894.9122 32580.7181 48203.9309 8887.6357 4554.8681 2606.6995 7520.9290 4942.4091 645.2600 10765.9264
PE(P-16:0e/0:0) 588.6461 1413.5335 10108.8095 14908.0098 3564.7908 950.2628 2966.1754 580.3011 1284.8331 1314.1613 1453.7769 413.5467 92.0116 4385.9137 396.9928 1462.9950 7183.4014 4177.5805 6651.3873 391.7701 431.7758 24880.0273 572.2438 2721.2745 1314.1160 4406.2108 10808.3212 924.4927 4072.7835 94.4652 94.7071 4413.1660 3501.9576 6611.1801 5416.7357 2391.4630 14187.7194 875.9627 1977.6293 2835.4091 1160.8318 1157.5531 1411.6755 4299.8661 4838.0231 681.5687 1316.5986 1464.9444 6113.6872 14032.9315 1199.4077
Perindoprilat 1409.5073 882.7295 1565.7622 1713.3762 6643.9112 1542.9515 1748.6440 1595.0643 1467.8207 3622.3358 1307.0591 1662.1770 1535.5038 3421.6142 561.6190 2402.7426 412.1596 232.2232 1767.8158 1371.3601 1951.9263 1382.5663 1461.0896 1445.6753 3056.8613 752.2619 1341.6917 2073.0000 757.7040 3290.4035 1682.0107 1039.7765 1690.3381 1692.8634 1483.8502 1659.4145 2380.9414 488.4147 3544.5405 1058.2145 3273.0717 647.6626 1708.7985 1588.1888 1830.0560 1362.9298 1631.6418 1572.8348 712.4829 1726.6216 1768.7229
PG(18:0/22:6(4Z_7Z_10Z_13Z_16Z_19Z)) 905.8503 1685.4652 925.5480 138.3062 1026.8255 934.4821 902.3437 858.3091 833.5888 882.6036 2698.7967 914.9107 564.5479 335.2064 956.2139 928.7863 836.3991 947.2277 1863.7831 849.4364 1241.7681 992.5837 917.9805 1770.5719 3231.2279 926.4633 691.3843 932.0653 1096.1292 508.9269 920.8115 1001.1038 2737.6249 799.9691 938.9938 826.7728 2221.6306 1878.0540 2605.6004 2463.3120 1579.8931 2529.9781 1055.8583 790.5185 979.8912 943.7223 605.7674 937.4327 168.1508 969.2755 844.8566
PG(18:2(9Z_12Z)/22:6(4Z_7Z_10Z_13Z_16Z_19Z)) 3526.7846 5663.6920 8629.1574 7936.9197 7796.5010 4906.7676 1613.8435 7576.9902 6832.2396 6282.1065 4142.1302 527.0337 5389.9731 1475.3925 627.9488 1874.2821 9177.5016 9027.4068 2513.7856 3948.6796 4449.8908 4478.9871 5317.8258 5341.3125 7392.6792 6941.6907 7696.4966 3285.1531 7385.2664 8671.4468 8701.8936 7865.9625 5614.9142 4590.5910 3564.6368 7392.1264 3653.9831 8413.3224 4940.3309 5246.2211 4392.8116 3485.5829 6988.3388 3370.4345 5472.8739 9469.1675 3530.8052 5496.7353 5805.5451 401.2795 11451.0098
PGP(18:0/18:2(9Z_12Z)) 699.9336 307.4586 1177.0585 137.6683 581.5131 534.1747 961.3647 1914.9563 3078.0142 3081.6320 917.7317 515.5748 8904.2074 1768.8728 944.6785 108.4356 1416.7803 6909.8046 4831.6658 111.6011 878.7484 116.8202 428.7006 453.7494 1352.7594 20785.8082 491.0835 6354.8238 315.4270 335.7409 1268.8692 167.5573 1405.4125 1033.3438 1554.5577 5227.7895 1937.0934 543.2631 273.7368 893.5433 1081.9434 973.0764 1336.3621 2183.2930 142.4704 485.5347 587.2997 388.7291 3971.3797 1115.5330 718.3979
PGP(a-13:0/a-13:0) 641.6780 6666.2751 4716.5170 9633.6328 1191.6947 3187.3626 2643.6866 3146.9862 43712.0187 17682.6151 9519.7265 2575.3056 542.1453 1389.6311 5095.0625 5261.3049 2000.1804 102798.6633 40500.4811 3799.3357 965.0930 7216.1042 100.4245 9585.2713 7792.9467 95489.5332 329.0886 17762.7720 1522.3671 5334.1155 1266.3548 2569.9046 6209.8716 1775.1548 7423.1267 53836.4526 14784.2860 1217.0207 712.3456 2050.6186 685.1650 1329.9127 861.2856 11022.5731 2094.1708 2413.8526 197.3015 3025.7263 15940.4014 4335.7975 7040.9529
Phe-Ala 1817.3817 930.8934 789.1953 521.9693 752.7884 1173.8715 3877.5196 1809.3325 1621.9967 23439.1781 4849.4317 4786.9804 563.9912 4181.8083 1599.3149 591.2979 426.6832 528.7737 13603.4966 4168.4458 1975.0179 1095.9843 4382.2536 14218.6386 5774.2392 5343.0978 3795.4826 1222.0205 25186.8944 2016.6111 4072.1174 1671.9935 7763.6644 12866.4314 799.2592 8878.4291 16960.9448 3470.9779 709.0953 246.6787 2180.5823 3168.9173 3345.6776 6086.0947 4202.9527 4656.9662 5175.8315 3592.4661 1680.2559 18324.2781 5034.7817
Phe-Arg-Arg 155.4250 770.2460 1699.8901 1416.1544 1523.3059 3771.4572 2756.8048 1720.4360 1425.3531 1507.4530 727.2608 5412.8733 6786.1694 158.9883 2275.8141 3422.4685 1498.6723 1796.3497 69034.5022 555.2269 1531.7136 693.4166 2401.9573 1154.6158 1513.4131 1527.0947 1736.5877 18949.2254 1413.2893 1668.7591 1980.5731 1630.8898 1473.9731 1103.6248 1020.4374 1566.2713 924.8244 1822.2157 1350.0761 1799.2229 1123.7395 507.1516 1714.2339 359.8713 2774.3444 1994.9766 916.5103 1051.3826 1403.1703 3332.4930 2186.1711
Phe-Cys 143.4632 1601.1596 1682.8754 1896.8528 1879.1535 1710.1546 1561.5626 1256.9174 751.1888 1192.7859 1978.2323 1678.0501 1315.0989 1194.9237 1992.6209 3331.3573 1443.4225 779.8024 2511.4879 615.3174 815.9752 1666.9468 1976.8666 1666.2620 176.2795 1820.5229 1092.9335 907.5841 960.2684 1062.8147 156.9749 1818.9949 2492.3867 5888.0366 918.8162 16271.2997 5188.4245 369.2457 2431.9259 1741.5382 1929.7947 1603.2360 2170.6159 1025.7717 1602.2414 661.4857 2175.3918 2656.3142 4098.0330 1369.6961 1630.3503
Phe-Ile-OH 2658.9869 1113.0579 585.6836 1445.9376 3901.4100 1930.2126 2425.5119 831.8445 4517.3647 544.3263 724.0244 3244.3273 3438.8035 405.9859 1980.6634 2125.7157 2274.4662 957.4010 3479.8605 3019.3121 3445.0445 229.7312 585.4545 14179.9753 3675.5891 5844.0029 3481.2629 30308.7287 211.0987 11764.8270 4487.2037 641.1683 1224.2164 2127.0366 573.6787 1050.1817 1655.5843 1476.8367 3218.7804 2456.7305 717.0378 4298.2177 412.8003 3155.9066 2116.8819 1092.0016 593.7694 1421.0686 3684.6350 106.4653 3384.5910
Phenethyl rutinoside 37328.4862 64551.5692 24559.8171 122834.5085 63015.7829 82685.3773 92064.4495 61964.4990 65073.0757 75616.7639 56961.8437 77220.1991 46130.7185 33514.7270 95476.2922 69730.6587 75715.1154 65706.0077 88490.9397 84021.7750 48018.1038 72004.9234 102612.9208 46796.2492 44783.5129 33740.8578 70320.1742 25686.8554 54758.9020 54090.3460 65192.3070 153190.0333 46416.1269 82254.2640 26051.1147 60576.6821 43094.4298 61707.0568 41824.9276 46190.8111 31176.2801 55900.0241 93014.3117 53273.6358 117401.3061 28944.2972 23118.1896 76857.0449 65964.7964 67066.3754 83864.4898
Phenol glucuronide 1448.0125 4304.8553 5883.2444 2328.4803 1944.3129 1579.7850 384.1035 2389.0697 2744.0568 8243.5244 755.8838 2706.5100 1932.7964 2533.3052 596.3103 2496.7453 1915.9155 1081.0546 1102.7427 1695.2890 752.1791 2448.9182 4159.7190 2147.4577 2436.5027 3283.8853 1018.0501 4756.8164 6039.9372 3454.3628 2296.0682 4937.6247 152.6931 2491.2812 3179.3479 5099.6461 1363.5649 304.1294 577.7623 753.7199 4777.7805 459.6920 364.5930 1901.1423 1430.8193 2148.6745 584.1240 261.8977 1928.0956 977.9833 2328.6212
Phenylacetylglycine dimethylamide 2409.6075 2316.1623 2193.3015 4346.9190 2081.0824 2200.8994 2196.5932 936.5284 2522.9327 3048.8460 1054.2544 2753.1044 2112.6077 2641.7289 2733.2361 750.2601 2172.3577 948.1637 6159.0473 1931.5908 2939.6450 2406.3349 2402.7206 916.3544 499.2930 2384.1743 997.9041 2746.2691 2365.4368 4911.4576 2517.2571 2402.4955 2778.9956 2624.6705 2222.4541 7075.4206 2929.0383 623.2561 2367.3154 1400.2218 1135.7138 2441.7440 3187.3529 5023.5033 2288.2753 2412.4720 2036.0020 2048.8497 2642.7092 3086.9829 2267.3219
Phenylpyruvic acid 916.7394 717.3447 1225.6444 2290.5143 2345.4499 1074.4076 1485.0513 1400.8175 1410.1041 1892.9437 1550.5640 1504.6544 1830.6436 465.6763 127.3850 778.9243 1802.2322 870.3859 1478.6181 1986.3351 839.8631 1665.9601 1403.1103 1311.4843 656.3412 947.7985 1359.9073 1194.2883 1401.1318 1082.1178 1411.4635 1664.4352 2291.0845 1383.8873 1017.4580 1137.7435 1226.4413 1387.4679 1877.6929 1636.5762 955.3111 2290.7112 1502.6804 2045.9906 1480.3416 1136.6705 1718.9451 1535.5155 915.0044 1828.9227 1139.7892
Phenyltrimethylammonium 2589.8688 439.7084 1395.3538 295.1592 7295.4531 544.3926 582.3165 1055.2602 6224.1915 259.5852 1630.3766 3081.7771 3632.6505 3014.4507 418.8556 2870.3767 516.8885 2688.2135 239.4203 2595.3279 2402.5256 408.5575 1879.1625 5303.1708 2702.8621 1656.0109 2849.2209 6464.3989 539.3970 3519.1943 3580.2341 1260.6963 1949.0988 4958.8998 2398.4994 2169.6575 2729.5239 865.0922 2539.9647 948.6857 7719.0986 1980.2313 1301.8028 2268.7951 4810.6963 8868.7452 2910.1389 3278.5697 320.6518 2893.9460 2950.0986
Pheophorbide a 18944.0481 1985.4562 1287.0836 106442.7331 4343.8420 3619.6219 27590.7199 3763.7420 12919.9220 1337.7238 18371.8597 7117.9212 10896.7678 7647.9254 5146.9354 4446.6591 26869.1971 1074.2766 26815.8740 18643.6316 17071.0156 1846.9199 14759.3298 2248.4028 568.0172 6061.4629 13913.8564 5597.3657 5411.3578 1342.7823 92590.8524 1824.4452 96.6967 16715.1243 43446.0144 10074.7277 3329.2298 18899.0942 8522.5659 7543.8966 5661.7478 32661.1299 2388.2719 4960.5288 19045.2265 68212.1612 11336.6733 7016.3308 61205.9601 3214.3371 75704.1379
Phe-Pro 8863.5283 5498.0844 414.0568 3084.3836 1750.0950 887.3362 691.9621 2106.6256 4379.6091 12577.9036 2014.7409 700.6635 2520.4369 13425.0408 3512.1713 13129.2872 812.0833 729.0750 2626.5343 861.1284 7794.6250 4668.8729 1415.8071 2211.1463 7735.8094 5969.5163 5518.4383 2156.7055 12403.5973 2194.1353 2625.8107 15480.1413 4078.5505 4476.3460 3302.0662 6539.0934 3710.3016 17468.9868 6353.8779 3073.1838 5102.4876 6683.6932 1678.4640 942.4194 891.8732 2877.5072 5413.6204 2797.9770 2405.0978 2349.0577 1059.7643
Phe-Thr-Tyr 33250.6501 2195.7351 920.6671 24641.8582 1712.9795 29976.5614 36022.2450 7781.4317 3718.1161 250.6419 2274.2466 107009.2278 22253.4237 48351.5184 35683.6688 23873.5557 46114.8977 74696.7628 29762.3230 27323.6351 1860.3665 30002.4676 36688.0125 6205.0854 39573.4672 40367.2620 1122.3091 49572.8435 36786.0770 598.6756 40257.9247 26241.8556 34200.4122 36219.2067 43637.6250 29963.8945 15467.1610 17702.3587 22402.7791 1547.9165 44228.3403 284296.0003 40608.2902 43111.4413 34175.1228 3085.9399 639.2683 28064.3193 192.8764 109758.8741 52707.5031
Phe-Tyr-Lys-Arg 1387.4994 1699.9060 2430.0591 662.7631 1286.0854 1271.3323 1428.0819 7660.3620 33817.6365 7214.6128 10645.7851 1056.3585 1451.7486 16457.5028 1177.7376 2353.6782 1550.4596 53035.5878 12026.2911 1070.6694 3132.1025 789.3470 1558.9299 1076.0578 788.5383 127434.5792 3248.5821 22069.4377 2865.4856 27681.6295 17286.8520 39936.7499 2100.5480 5673.1813 7175.2958 74059.9681 8149.5395 2225.4590 1170.2583 29771.7592 2738.4455 1858.7632 2343.2792 4958.8741 1400.1533 2164.8336 1764.9751 1403.0889 13074.1446 5575.9113 9015.3180
Phe-Val-Trp 566622.8105 654992.4321 612693.0646 1156245.1400 603310.7629 745375.6490 625704.1569 579278.3187 750658.1334 830175.2609 611926.3157 629374.5532 516796.3355 845426.7859 627641.0282 704413.7246 633196.1935 571304.2411 945659.8777 629979.4240 572363.1616 654430.8298 680880.9152 553673.4336 494876.5585 581422.7100 673027.8393 615791.2030 771867.4158 665896.2449 729008.2811 1139229.9190 512631.9601 701206.1384 586142.1508 629212.9847 532139.5521 632708.1559 470252.6087 483863.5246 416618.4828 646697.7235 715823.1782 345944.3637 803591.8433 750985.0605 562098.7186 613341.7426 667499.7812 615197.7087 646636.9403
Phosphonic acid_P-[[4-[(1-oxotetradecyl)amino]phenyl]methyl]- 90523.2945 208918.9571 198450.5395 99321.8374 160183.1632 143350.9794 36486.9975 147192.2206 193656.2931 156501.3279 192555.3929 185218.9600 188783.1287 80399.3415 240720.8766 143253.6509 128592.3094 207739.4840 165312.3310 238027.7929 146923.4378 161729.8189 151384.0080 171730.5343 136010.5704 44326.0480 224197.6459 67158.4827 82444.5578 232590.6739 76489.3533 159049.7290 165559.0259 169264.0792 103539.6634 245039.5516 119307.0550 142888.5727 130936.9000 161138.2170 107372.4357 133721.8206 74128.9057 150633.6390 186055.1041 115386.1379 157523.1909 250559.1906 166079.3442 41656.2198 214277.2477
phosphoric acid 900.9327 1151.9233 1331.6265 1235.5441 1306.2532 1173.6024 1180.1690 1224.3214 1099.8762 923.7004 1119.1443 1183.8099 1350.9509 1199.6411 718.6162 576.5431 1256.2782 1119.4367 1117.6194 1061.2608 1164.7215 1354.6281 1216.5785 1032.8422 1364.8617 1169.3990 1207.9462 1203.2714 1150.0931 1190.7183 1374.5138 1215.5661 1315.5265 1391.9508 1177.1925 369.6275 977.0166 1374.7390 1297.1175 1218.3698 662.5283 876.1774 1125.5816 1221.4780 959.0866 1193.2456 1388.8199 1241.0967 1296.4041 928.3753 1284.3874
Phthalide 759.1891 1148.6802 722.0011 526.2890 826.4971 1123.3739 1136.5395 736.1229 646.8958 717.8951 423.2660 1189.8590 608.0724 777.8344 1095.3297 972.8023 1517.4514 1206.7847 758.3197 1232.2786 770.5750 1139.5992 1185.2266 951.2094 1043.0699 796.6839 1049.1500 783.3466 675.4362 849.8573 1212.8519 1528.4385 977.1949 1526.4216 325.5588 913.6093 400.5651 1105.4364 801.9957 953.7726 678.0774 750.4691 580.3424 782.2298 977.3693 989.5595 1071.9093 1057.7009 396.3929 803.3785 1293.6917
Phytomonic acid 666.6470 715.0400 649.1776 807.9517 578.2884 503.7954 121.8271 622.7292 202.1205 136.5030 156.3283 521.8550 1866.0180 776.9063 116.9965 1432.0872 122.6775 551.0118 429.3988 903.0869 572.7870 1402.7056 530.9222 145.3910 879.2700 316.0340 592.8642 636.4575 103.6226 2027.1209 448.6234 707.9112 963.7963 1378.6450 715.8446 518.7976 658.6220 812.7329 672.7670 686.8732 1079.3178 671.9831 917.4815 759.9425 164.0815 1862.5888 1544.1722 597.8879 129.6981 112.8065 576.2108
Phytosphingosine 93331.4358 385170.9100 190474.6025 201598.0732 220093.6187 206062.8918 415305.6326 208905.1003 127147.9734 231854.9656 245210.7625 240570.8173 99728.1315 89678.8942 214880.7972 177561.7248 297388.9103 277432.3342 156721.2685 239666.8628 225792.8738 246829.1750 216200.9445 119684.2064 235060.5600 117505.3143 198010.8939 140036.1743 193924.3623 189209.5319 126833.0956 248791.3983 171767.1218 272276.3756 209417.6975 183944.3065 178043.4924 140955.2889 136119.9670 158637.6377 95719.7194 206428.0986 186162.7289 229449.6116 220139.6818 242947.3366 184170.6466 199555.0421 194927.1164 130169.7085 208423.8179
Picfeltarraenin IA 558.2799 4999.7646 4125.0383 5957.1047 730.1285 1829.5811 2866.8719 1611.5457 27085.7708 13202.4362 5220.3251 145.0307 121.7718 1057.1635 4423.8242 1529.7195 1676.6880 64643.3084 29491.4223 3176.3765 368.3918 6437.0128 3119.0782 7666.2165 6640.2017 58304.8042 1377.7666 14874.3520 841.5261 3115.2020 1015.0403 1471.4510 5251.2781 1127.8853 5765.3560 27328.8939 7839.4657 557.8672 461.3399 1240.1438 111.8227 717.7056 322.4143 8269.2719 3471.5513 1631.6019 118.8207 2254.6316 11165.3834 3166.2248 3743.4435
Picrocrocin 5547.8629 5588.4749 5384.2588 3062.3173 3924.0009 7629.2095 6356.6104 5563.7575 6350.8690 3230.6113 5457.0679 7212.1548 4488.2952 8608.3310 4144.4441 6404.3345 3552.3418 8335.8665 15158.1306 4789.4697 49761.1279 7281.5686 6178.6204 2916.9908 1389.2218 8366.2840 898.3587 4575.9925 4984.8498 3892.8279 5591.1322 3269.0794 3442.9943 4131.2182 1633.7876 400.5224 2590.3169 7357.9738 2687.1809 3692.0377 6879.5001 7187.7463 3661.7878 959.9646 5018.0555 5060.5106 10410.6036 2200.4889 38972.3012 3039.4075 5108.5015
Pimonidazole 4298.4377 1190.5523 1418.1152 11039.7121 6352.6678 5382.0067 9580.3929 4248.2954 3796.7682 53454.1246 24644.4469 9795.3327 7413.5732 2302.5584 9663.7993 13044.9103 10388.5401 238.4696 11938.5833 11528.1935 13428.2393 13996.3983 8235.3648 16812.6419 9352.2760 12906.4475 9447.1729 3564.2682 68938.9864 6324.9634 11444.3620 4103.1469 5595.3036 3706.6617 12298.1027 4394.4635 6799.3898 24381.1329 2192.0224 813.9395 13306.0441 11821.6389 2661.6316 11704.2493 9954.0440 15227.6297 2424.2025 7836.2698 12288.7098 35128.4373 9562.3236
Piperazine_1-cyclohexyl-4-(1_2-diphenylethyl)- 1414.5147 4056.7738 525.4344 2187.3027 1289.6209 1010.5158 1067.0124 1168.1336 1398.7497 2039.8056 3157.1334 1266.0214 1240.3028 1294.2965 1190.5408 1242.5302 1388.7779 1582.6701 2496.7596 1254.5162 1151.2182 1586.2033 712.7974 1291.9268 1353.7821 498.3685 1357.0803 963.3105 229.4652 1402.6062 218.5384 1271.2205 1291.2049 1296.9796 1260.7425 1832.7938 1627.8467 858.2873 2804.1845 510.6896 942.6737 1293.4079 1288.5451 1296.4120 1190.5686 1224.2796 414.2980 1027.0042 269.5087 278.2261 1569.9680
Piperidine 194309.2151 196694.1657 189808.1653 179369.3983 199235.6671 182047.7685 208223.9296 194256.3534 188794.7936 181276.8748 181019.7769 181003.0178 211502.4881 163675.2502 223387.4022 203972.4999 207936.0870 176320.3662 180738.6258 219654.4149 172820.5117 201733.8959 216928.9388 190554.1720 227643.8555 174640.8868 206783.6168 174626.0497 206446.2231 149054.3665 180866.5628 200738.3848 142106.7177 232406.6284 204878.9705 188834.9461 159657.6397 176657.7095 184734.0448 171787.3211 180146.2209 178979.9275 207098.6950 221725.2773 222073.2637 219395.3544 208079.5190 219316.6669 180373.7599 189411.2654 199060.9226
Piperine 72.2615 462.1469 106.4596 560.4858 3069.4407 31.9685 91.8994 46.7512 1478.1114 845.1826 9265.3456 9442.6858 157.8833 19959.8819 53.9388 2216.2924 11260.1940 147.0924 24401.8285 6629.3398 6791.2010 170.3092 64.4224 10323.5747 3.7737 741.5010 4006.7947 9825.5670 441.4876 12613.8602 14337.2305 3.7220 16147.9591 56.6514 11122.7368 54.1440 405.2342 244.4616 8387.4703 12.9437 165.4557 272.3112 79.7236 140635.8105 122.4856 83.3609 204.5278 989.7282 6483.6307 6460.2502 9667.3294
Piracetam 1300.2265 2913.3643 1033.6865 1071.0160 757.8670 1228.3061 1252.7061 705.3786 1054.3317 421.4280 764.7421 1443.2053 919.4933 1738.4894 883.2384 695.4631 158.0098 397.9186 1660.5203 1002.7445 1631.5523 164.7882 967.7869 2516.7678 797.7955 1803.5833 1141.5677 1713.6135 1890.3907 808.2024 1503.2741 2100.5872 2978.1893 1884.8144 522.3978 820.1604 1342.8922 347.6053 1486.2865 596.2030 8714.1948 1151.3523 1098.0598 2973.7604 1075.9610 1268.3689 1084.5308 156.6737 1601.2583 2831.8091 1127.5855
Pithecolobine 6734.0283 6167.2135 10089.4541 10911.9991 8959.9750 7984.2252 8390.6880 6282.3004 2020.1380 9708.5466 11522.8554 9996.5632 9875.3351 4392.3506 6991.5917 5799.0294 9410.6754 4894.9653 14741.8245 6379.1232 13375.5638 8840.6191 6577.3631 882.0289 8730.3110 1666.2458 12040.5037 6674.4319 10044.5352 12199.1262 11407.0110 7747.8887 9973.6537 10781.8722 18491.1562 945.5857 7834.2019 4029.0061 52857.7699 37042.2320 252.9669 28106.4945 1368.4070 1440.9108 8426.4457 875.5054 555.8233 5809.6484 12520.6752 2102.2861 9010.6769
Pizotifen 15772.4090 7949.1833 15715.8958 9975.8276 627.0228 12605.6817 11627.8690 1581.1967 9187.5000 6893.0260 2101.3174 67167.6243 8967.6446 11430.7055 7624.8967 10402.2846 12615.6795 10115.0324 7425.6170 12219.4927 4093.3868 1031.8684 13147.5052 12894.0882 1006.5031 13664.0998 8114.4159 10076.6750 12749.8880 22992.5228 10305.6241 16146.0817 10141.8982 8905.6589 6958.9317 4075.9378 5320.7542 322.8717 11747.0113 6917.8995 2007.2052 367.6080 1979.6777 6953.0435 11411.6455 7556.6050 7210.4758 12747.1025 3894.3351 21270.5741 12345.8523
p-Methoxytodadiol 819.6438 11602.7486 793.7490 14353.2561 286.3216 2913.0363 2788.4155 2779.8431 2005.1519 6083.5425 7261.5129 3163.4671 4266.6823 3124.0753 1877.4233 1986.7082 4927.8568 4891.7991 4811.3598 2395.5553 17656.4682 1986.6471 2066.0983 4333.6794 3893.6478 1315.7835 5024.2713 1617.1429 1964.0475 3294.5066 4388.1207 2023.4025 10690.1190 1496.3237 2942.6740 11398.3029 5212.5816 3488.7052 5970.3490 2913.9168 14682.3290 6079.6886 10318.3916 21572.6259 3643.0043 2694.1855 5225.6370 2173.7841 4672.8537 1044.7613 1996.2182
Polidocanol 8607.5867 9066.6671 10786.9346 8635.8741 10778.5787 11794.5835 11515.5772 9806.5316 9234.9004 10327.1672 7208.5123 8333.1757 8733.5426 9940.3210 7617.3353 9868.6508 8395.6636 9401.9619 8697.3494 10810.9004 9910.0142 9141.5800 9555.0784 8235.6719 9364.3828 9853.3142 8985.2132 7896.4964 9606.6541 8379.6221 8282.5778 13622.2058 8401.1857 9274.0151 9477.3222 10719.1530 9163.0082 9722.0623 12675.1023 9798.2862 9069.6778 9591.7311 8175.7805 9448.8299 12521.6239 9091.9609 9302.8145 9161.5559 9853.1277 8340.7128 12263.8188
Polyporusterone G 2001.0734 736.5646 1778.4842 2456.1646 408.5788 1652.5094 2039.3661 3020.0502 2587.6532 2657.8936 3797.5686 1662.2706 1767.8584 207.9917 1268.4065 1760.9080 659.5282 3240.7892 6332.0897 1474.1164 3101.7890 2132.8567 1868.3945 5084.3570 390.4509 3135.2494 2185.7663 3974.3297 1966.2997 963.3828 1899.7803 1011.0504 354.7877 2080.3188 2051.2522 5859.4328 6093.6044 1720.3279 2018.5233 1081.5945 3342.7928 171.9169 5859.0504 2492.3415 1767.3606 226.3547 1199.9964 1470.1538 202.2853 2001.9521 2145.5422
Populin 3639.1346 18338.9374 3311.6651 5077.9934 2785.4834 2335.3369 2898.8615 3709.6275 3845.3051 513.1363 8175.6431 1781.6374 429.4747 4803.2834 2580.9075 2411.8694 4102.0899 4362.4631 6128.7194 3010.5954 558.9803 7432.5514 2352.9291 3697.2167 548.5675 3656.7609 6965.0010 4816.8880 3634.7054 1003.5461 3403.2488 2736.4891 4311.4229 2382.0157 4263.9634 3414.3771 3244.9887 4279.6693 2911.1125 4583.9297 5116.0117 9187.6370 4255.0609 4046.1271 1797.2954 3490.9923 4794.2640 893.7004 4759.3752 2921.6782 2482.0155
Porphobilinogen 330.8674 5130.2591 10712.0092 12296.7551 3044.9241 27404.7263 1017.4777 1752.4317 3348.3405 9117.8928 3582.9084 4253.8309 4889.5535 3857.5783 3751.0268 2598.0368 6671.5120 4906.5685 5736.5263 5007.6664 3975.9339 1834.3989 1059.7821 124.4886 8025.5411 2625.8185 6694.1285 3621.2178 8114.2286 2546.8859 2373.9534 725.4708 29103.8688 1619.0114 5745.5505 5738.4980 20789.6516 5366.4866 22988.9540 7488.6705 6983.4351 305.4892 1301.1165 462.9745 1293.9177 4344.1793 4028.1081 7500.3375 14831.9884 4014.9555 1480.2874
Potassium sulfate 703.1265 817.8054 649.5057 897.5842 394.0874 672.9301 253.7088 791.9145 183.8900 615.7905 657.8201 833.4125 621.3668 753.6143 588.3629 921.1057 1214.0271 1184.2299 677.1375 2784.7052 754.0034 854.1849 600.5000 764.1898 808.7664 627.4139 236.6105 342.4861 637.7721 1610.7045 754.9654 267.2185 727.6516 986.0784 881.8164 157.2414 680.2910 171.7866 605.6718 146.6945 635.7039 466.9740 778.0901 820.0150 2487.1857 1052.6698 849.0053 1659.5964 728.8095 783.3045 982.2592
Prednisolone 21-all-cis-farnesylate 9397.7099 1371.1486 4728.9991 84.8823 9279.8579 2256.4657 9611.4640 27516.2198 9130.8222 2638.9564 5350.8141 3123.6957 4796.9319 2781.0535 11809.3606 11748.2082 6922.0975 3077.3076 12086.7905 9475.3016 4153.5900 276.2779 10220.9037 116541.8788 9700.5638 10675.6516 4301.0825 2499.7322 8001.1770 13932.8407 1769.7720 10741.4593 27741.2329 1637.7191 3664.4271 4425.0916 588.2167 19637.9823 3686.0695 2438.0406 11333.3945 5767.4074 855.9308 4374.6643 14235.9961 20927.5375 6298.0393 4032.1080 7725.5343 3875.3107 9875.3505
Pretazettine 6115.3015 7815.2686 401.4518 7411.4563 5351.8753 5938.5877 5661.8704 367.2886 7506.0357 22296.8706 2592.5921 6359.5281 7581.1798 27217.2542 6485.3459 5702.2184 7885.9156 6479.0202 3719.5368 5368.9543 7413.9440 6924.6212 5687.2212 7024.9241 7014.4707 7092.3734 4930.9688 16617.1388 760.3900 3664.2360 11271.0636 13089.7729 7171.4014 6765.2863 1663.2359 6717.3452 4118.2987 7992.2779 1862.7913 8824.5921 353.2269 5639.6708 26635.8306 1704.5060 6815.1499 8007.4685 631.9567 6309.1585 4326.3573 5682.4031 6723.8573
Prilocaine 6887.1485 779.7213 17048.2424 774.9465 197.9239 2134.2513 18979.3448 87.5656 2019.1006 2345.4416 28094.2418 17102.5262 5892.4648 5498.6348 487.4443 7217.0152 18021.7980 2029.1135 19744.6164 21807.2754 7574.3110 35255.2379 31925.1660 136713.0326 67237.7247 37674.8406 55380.7694 9294.3876 22444.8306 40074.7450 4858.3951 38346.5963 24494.3095 2783.6547 15087.9068 3511.5414 10812.5193 4620.4065 65262.7999 259487.5981 3151.9103 50675.1554 347493.3420 15733.2537 27930.4926 1438.6693 45949.1903 29892.2347 289511.6086 11179.0004 7900.9793
Pro-Ala 866.6634 12644.5052 7362.5629 9224.1897 7796.0255 6729.2030 6655.1948 10494.8409 3515.9809 8863.2771 1840.1770 10508.9750 3269.5747 16975.9821 1056.2788 579.0470 11409.5271 13637.1350 18747.6442 15216.9424 11693.6066 2821.5851 7115.1874 63684.2735 19217.9545 18412.6656 8255.6746 76860.4138 2496.0138 963.1227 10853.6716 3197.9549 15946.2972 263.3706 9920.2801 11075.6783 11910.8472 409.7529 10616.1195 10190.4245 11890.9474 12033.0978 6752.3019 14203.0143 6443.9617 21586.5109 8303.9538 804.2301 13383.2649 11279.5722 6349.4461
Pro-Ala-His 5443.9494 7878.8129 3437.1130 2142.5385 7766.1227 4958.4553 3050.8974 12016.9014 13626.0456 4642.4917 1030.4931 2328.9769 2880.0191 17335.3897 4144.1196 7095.1161 3005.5295 606.8100 6566.3296 1927.0952 12265.2661 6277.0903 2308.7742 21633.9717 1824.2582 3392.0520 1918.5403 7865.7084 12346.4374 15018.2106 20420.8240 5012.3157 9940.8537 1251.2832 2902.9816 3517.2206 3375.6400 10282.9001 4794.0601 2445.4428 9736.8510 2540.9888 315.2364 4246.4933 2653.6787 13584.1755 14235.5730 13355.3587 11804.8046 1871.8048 4458.0675
Procarbazine HCl 3762.7164 2789.2572 2479.7952 1793.9136 5661.1025 1732.1905 3644.8507 3440.6659 3616.3727 5751.1063 3270.5553 5770.2319 3357.5415 5010.7856 2086.2859 2244.9710 3637.6860 4677.5985 322.1223 3138.1845 20097.8910 3262.8113 2905.9644 619.2919 479.8875 4035.9854 2123.7330 4499.5303 2536.7779 19198.2154 5061.7822 294.9525 1080.4268 3766.5256 4139.2437 1633.8657 6345.3634 4793.3061 5228.7874 2650.5279 5495.5265 27317.0325 4809.6242 3517.1225 3372.9096 2823.1867 318.4985 2445.2699 13907.9403 3669.3666 3186.3388
Proglumide 9369.8885 10471.1897 1676.0933 11729.9659 4011.0204 7491.2717 7725.1738 3244.4224 12233.6886 5292.9034 7507.8159 8767.8111 9175.2116 13906.3707 2150.7677 8776.5527 10298.0932 7041.7886 23086.1169 7852.6141 29401.9172 10560.3489 8483.6290 18358.5421 13767.3618 2169.2461 5393.2867 35288.5969 10321.3768 13673.9570 2965.0971 10753.2542 8274.2500 4930.7543 15679.0279 12322.7277 18697.4350 10562.9837 9489.8385 10342.7803 15459.4133 24564.5391 13319.4549 9389.7694 8323.4001 10459.2968 12240.4417 8104.2295 39191.8604 15351.1546 6670.6887
Pro-Ile 3290.1715 3539.1310 15996.4001 490.7634 883.9662 2691.3093 18272.1796 660.9783 12799.7603 2512.3864 164.7621 4367.9383 19.3165 40.8119 2124.4322 3162.6848 78077.2673 702.1749 827.2231 1953.6255 528.3571 1842.9959 143392.1256 322124.6172 148.1459 4943.1677 1364.5700 20.9300 8206.4157 11.1375 4755.9858 1597.4430 1946.6212 3052.8943 1899.0290 2302.9670 1123.7397 1548.1658 584.4896 852.0704 422.6224 468.6906 573.3800 1167.7197 340421.4000 1178.9177 86.7728 466322.9841 1241.2262 4409.7915 77608.9156
Pro-Leu 81794.7430 19896.1987 6789.3941 24043.6209 10875.4186 2698.0195 5034.8100 19099.4381 28101.0947 22683.1123 11934.2618 3733.2546 22309.8464 15801.5022 34994.4472 87797.4730 11766.4009 7467.3785 18350.5446 9400.2602 51463.3999 45129.4796 12498.5672 29349.9132 52303.1827 38679.2323 42143.9656 13734.1852 108245.5302 25403.4202 8308.9262 100277.9049 35687.4277 5141.9518 8912.8613 26852.0552 3567.3955 53551.1982 26778.5128 8613.8701 47971.7927 8799.4734 23356.4418 9749.1190 14886.1106 17832.5012 55815.4251 23842.8233 17836.4301 18604.0107 6844.7835
Pro-Leu-Glu-Gly-Lys 985.7575 72.3975 3577.4775 10581.6596 1182.2312 2159.8030 2107.6185 7539.1027 127900.8651 15626.9312 32870.5264 441.9423 755.5338 1254.3555 4578.5171 4505.0981 1488.2459 108575.0208 32474.5685 2662.1219 2743.9935 8152.4154 385.9546 8735.6030 10901.8039 124895.0873 1946.6099 14171.0206 2730.1331 6463.9026 1322.6986 4292.8247 1173.9146 2446.7972 7500.4953 139150.7919 10280.9342 2319.5072 977.4786 2687.6368 1006.1643 1921.5332 1752.0104 7835.8662 4454.6950 5642.5656 115.8300 2324.3966 16781.7897 291.6080 31406.3783
Promacyl 45753.1352 46911.4774 49315.4826 220952.7509 386.8323 21426.5691 38987.1467 35623.9216 99027.8068 22618.1063 41184.3433 4109.3198 55861.0007 6759.2059 55584.1168 59149.4129 7595.7850 158080.1517 38609.4129 57422.8709 44273.1519 105278.6546 44776.7694 53425.5600 61714.5513 4197.8506 72286.5541 45036.3577 60844.4468 24599.5712 41748.0618 67486.6076 10071.6783 44105.9424 63654.7781 77581.6396 11868.3878 80897.3858 4993.0757 3027.6779 12942.7836 9087.0786 44264.8722 49415.8311 15159.4013 58959.2110 153409.3547 59138.9451 7235.6969 43741.7593 40308.9848
Propamocarb 271342.6900 19277.3106 341548.0570 18670.2941 1044694.4850 778465.2487 329630.8065 183553.8206 201876.3802 123088.2329 49886.2809 1140683.4480 75739.0131 14616.4660 295225.6911 728920.7757 173412.1655 78962.6132 44891.5484 146605.9085 16099.2916 342480.8213 781825.7216 14110.9794 52726.8841 95251.1418 65937.5188 32912.3982 52736.8018 13771.9346 484628.7370 683815.3364 67260.3903 10694.6199 100455.0180 260514.2270 70196.0401 139498.8967 54210.3933 29282.9873 29876.4444 19541.8816 35585.8986 58013.9880 375819.8333 832100.9511 123452.7956 176818.0284 69229.8410 237876.1160 872805.9994
Propan-2-yl 7-[(1R_2R_3S_5S)-2-[(3R)-3-(2_3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoate 14066.6597 9816.1190 2242.1373 16533.2404 6577.3983 1300.5152 142.2761 6210.2873 5534.6150 15290.1647 14227.8760 4929.4467 15245.9727 13518.2388 3934.7818 3192.1424 2683.9484 6171.8247 9004.2965 1871.1393 7428.3288 5853.4727 3290.6907 4978.3735 5490.9469 10088.5194 3287.1021 7278.4083 10998.8555 49438.0385 3543.7861 3876.6186 38840.3223 3957.5978 1709.9578 16590.5309 16089.7109 10793.2098 19894.9729 6051.2516 6319.1049 17024.9739 7236.1302 2080.5176 1299.5800 827.7649 9023.8940 916.0579 12750.4925 3452.7364 1890.9781
Propane 9669.1906 10313.5644 3548.4000 1886.7714 1557.5930 2667.1577 1516.7690 2185.4624 18937.0310 16426.9146 22667.3443 682.6124 6683.1600 34572.3493 2913.1501 2370.0373 173.5178 23213.4093 21330.9556 1366.5665 1808.0661 15360.0829 2088.3077 14284.5553 5928.2634 7451.9006 3334.1596 28707.9528 10671.7043 914.8821 3534.1826 2906.3174 6987.3675 11387.6848 22938.1657 8470.6961 36773.4708 14427.5090 40370.6266 53993.6151 2633.0909 26263.5771 40833.4745 14946.6700 951.2160 1627.1356 5587.5632 2291.6074 262988.0474 9966.9958 7662.2560
Propanol 4218.5488 1665.0236 42738.7978 1309.8249 6324.9557 32757.3851 44055.5864 4919.2927 9730.2893 10209.0788 4997.0328 50516.5592 3784.6143 827.3611 18736.5064 27397.3073 728.4782 2952.5052 2368.7817 21773.6423 5976.4458 16337.9317 37851.7789 1588.9431 2200.1876 4090.0685 941.5155 4274.8987 1617.8805 1693.9693 24633.0187 5883.7962 3806.9575 3319.2080 3289.1549 3648.2391 9210.6683 4183.5018 2566.1763 3740.5358 1663.2203 1851.7362 4150.6286 12518.0521 8979.3385 7764.6507 8499.4372 32136.2592 5644.1297 6575.5797 57064.8267
Propanoylagmatine 2311.5979 654.6059 8084.5536 1251.1497 4640.1349 978.7987 589.9298 2144.0411 23041.3258 3117.5096 81.3640 3714.9601 3277.1044 12827.3392 346.4874 5992.7686 7311.5255 1492.0191 5815.3118 6619.7639 9297.7948 8474.3374 36158.7455 87.6723 5528.2078 6325.5700 98.6346 1898.8784 3516.9311 36441.4898 86070.9562 4480.5428 682.3504 6643.0323 1123.2177 1471.2029 7078.3263 5648.6469 6551.2806 1454.9304 125.3778 1615.2978 76.8476 1182.7578 757.7514 3744.2025 40562.7476 9859.9239 3940.4485 14220.5434 1437.3071
Propionylcarnitine 3027.7235 3176.7568 3436.0696 731.7907 13828.4499 285.6777 2795.5280 4281.3958 2709.1459 621.6202 3110.2330 333.3288 5542.7390 1805.9276 4032.3390 400.3792 3389.8831 5503.8035 14425.1312 2590.6433 943.6764 603.1319 2402.9746 5731.7484 6658.8578 3921.8726 7760.2736 319.9094 4685.7315 836.0550 3765.0696 5458.3988 702.7397 8242.1025 3011.9953 510.0855 683.5385 284.5754 3085.3050 30431.0724 291.6476 3070.0230 18759.9688 6499.8284 5276.7005 5306.6017 2834.1855 986.4068 5833.1961 4413.7448 312.6476
Propranolol hydrochloride 1028.7393 353.0450 733.9249 832.3299 667.7750 734.8611 695.9436 751.8429 1369.7361 410.7773 655.7352 664.4534 732.5965 824.0229 876.3968 708.7956 635.5178 191.1002 523.4151 240.8011 719.1732 540.0217 834.6430 536.0569 947.6044 1718.0147 1062.9260 816.2082 953.4608 766.5188 815.3986 1153.5929 223.5056 787.8353 318.5032 1521.2420 766.9222 1112.3193 858.2849 254.1575 833.1424 655.9477 707.1620 679.7283 191.1920 481.1228 1010.7925 1277.2615 610.7350 1348.1389 740.4282
Prosapogenin A 1514.3572 1609.9053 3402.3071 865.5777 1499.1285 987.0599 819.1303 4999.9375 24849.5278 13859.2852 5814.2816 956.3505 5986.1515 6329.8724 460.7656 1054.6524 1493.3139 48903.7723 18119.9401 647.7757 2441.6880 854.9978 1425.1923 893.7321 616.1620 146513.6863 1230.9111 24982.4801 1868.2227 4172.8358 4406.8674 7646.5061 826.1312 4734.6572 5911.8836 48511.9983 6358.3343 2097.3141 1121.9828 5413.3672 2024.1986 1051.8174 2407.1735 7058.3515 943.1995 2137.5276 1858.6469 807.3482 14628.3214 2069.1831 4950.9799
Pro-Tyr 192926.3373 151547.3446 551894.7300 277335.0258 133479.7766 199326.1051 441757.1681 187775.0187 137013.1415 132575.1861 145396.5679 198435.2798 194706.0828 64069.4508 89067.1870 145055.2952 66263.3207 244491.9866 172680.3156 228987.3834 199402.4011 324890.6755 210789.3132 83323.7293 85075.1564 132764.1656 182505.7782 183635.8346 166586.3546 47998.0918 561003.8463 65809.2509 63168.3812 194123.0086 150165.2468 211919.7004 126458.5084 158595.1832 406841.9379 98304.9136 173566.1433 68202.5181 251722.2593 159607.1251 231096.6942 76375.7095 166028.3992 156822.8599 139847.9565 175029.2295 167521.6092
Proxan 232844.6520 260547.4994 179960.6634 258886.0304 233614.8486 264570.7092 258248.8422 74525.6124 258292.1667 266656.3178 190162.2444 152094.5967 238143.1939 204692.4722 132905.6861 269311.8569 154811.1906 208597.7285 243615.4495 243285.2650 259004.3044 256689.6991 250127.0173 264848.2089 283057.1689 259745.9797 279053.5571 265890.2699 283999.6932 268469.4076 278928.7926 268135.2566 181204.7712 269025.4645 225816.0032 271595.6210 194046.0002 288038.2187 276070.5100 208758.4354 204513.5988 265538.0677 205576.7070 132728.9688 253384.1875 278238.0392 261943.3719 274767.4596 268803.1814 277366.0524 272642.1225
Proxyphylline 533.0242 32066.1964 1889.0145 22131.9083 2688.2831 2088.7612 325.8871 3275.5428 2743.3588 786.3413 1246.9190 1650.6963 3898.7939 375.8144 652.1036 161.2619 285.3189 1139.8279 1704.1690 4037.7318 13194.8795 3792.1323 2461.2157 1303.1011 647.3015 4575.1820 6415.9746 1470.7698 2293.3668 9050.9082 5684.5197 3704.2221 14906.1190 5145.1819 3741.4967 3134.4773 1978.9823 986.6154 21600.1577 8758.8708 15924.3715 9573.6300 9910.0162 1295.2735 4110.5303 4652.3677 133.0735 3027.2523 3968.4382 460.7698 3023.6159
Purine 2081.8372 2232.2965 1752.2211 3683.7838 1716.5669 1766.6827 2030.0743 2066.6522 2166.7304 260.5815 2037.1094 2291.2643 1900.1626 3590.6999 1899.6043 1934.7388 1907.7653 6561.8047 2324.0334 2132.8973 7758.5927 1082.5607 1727.5886 2217.4402 299.9377 2481.8576 1738.9689 2023.2703 1525.7405 2801.3834 2248.9652 1274.9083 4315.3412 289.9120 1864.2171 3980.0929 2015.2797 328.1524 2953.9746 1931.6527 6426.5565 1427.2899 3165.4531 300.6350 1828.5937 1795.2971 1926.2521 846.1752 2673.0306 2215.2111 1911.0885
Purmorphamine 594.2786 6681.3640 2041.1057 6012.3197 682.1562 1731.8059 2717.4173 5202.4057 84173.0752 7257.7308 19923.6562 428.6410 481.5402 837.8121 4988.1097 1942.1313 1030.5247 66258.3804 16574.0351 3822.7750 2042.6973 6413.7338 2735.7003 6850.6730 5030.2819 58292.1731 1805.1795 7075.3068 1776.1997 3765.5837 804.4258 2841.4977 878.7007 1703.0469 4124.4053 96615.3848 6350.7018 1876.6945 578.7510 1650.7517 651.8248 1743.8991 1141.4337 4089.4497 3310.2127 2586.1252 3006.2101 3734.3333 9691.1087 111.8983 19724.3410
Putrescine 6084.5978 3955.6670 3512.6516 3927.8427 1280.0988 3207.0964 3705.9751 3489.7955 5270.1740 3581.0672 1993.0347 4527.6810 2817.3969 4251.5144 5304.3047 2630.8981 2815.0280 3594.1360 2951.0870 4014.8907 5148.4686 5064.6096 5195.6269 584.7592 1779.0995 5287.0622 2109.2262 4696.0807 5453.6266 5322.1688 5121.9829 22257.7322 1265.3733 732.3070 3462.7613 1215.5013 1791.0791 11235.7282 2815.3503 2107.0890 3161.2067 4177.6749 564.6616 1641.1836 4414.9510 4233.1928 3753.7611 898.0340 587.7384 448.1541 4264.1714
pyrazolidine 43936.4146 34162.7028 53946.3670 584.6162 112894.9735 28677.0723 47550.4681 26246.1294 283856.3302 1360.5481 41213.8964 159379.5169 36593.7507 33692.7250 87270.6962 50406.2579 60422.1090 71495.0699 1826.7557 74048.2795 31297.4104 33365.5458 2002.6536 3354.5693 33564.4292 6519.3614 46575.6221 1800.9491 331.4490 28026.8727 2226.7601 318.9248 875.2871 63791.6581 48935.0139 57755.0753 41351.0852 402.7520 23537.7133 5660.5478 3638.2163 1146.1832 23313.3645 2209.1544 88856.2372 3555.5385 38171.8931 109518.7235 85160.0201 34880.2584 90745.3868
Pyridine 217.9933 167.2456 324.0144 199.6054 698.5301 247.0319 900.8533 471.4985 241.3301 188.5990 193.7811 103.2560 111.3487 130.5663 323.2458 65.0507 121.8433 216.7668 172.5641 109.5045 121.2939 60.2855 333.8514 280.1919 194.7364 206.7086 862.7555 27.4438 365.6913 137.1903 391.9999 211.6687 397.7885 138.3855 216.8242 238.5362 173.7434 230.5072 196.9067 743.1368 2436.7722 264.7432 436.0363 253.6339 199.0650 139.1601 151.1055 127.2495 238.8626 301.6139 138.9879
Pyridine-2-azo-p-dimethylaniline 10430.7496 4292.0331 4264.7919 7543.7102 4885.0054 9665.7594 5615.1557 4731.5606 5125.4906 8859.2870 5914.4062 2899.5118 5829.1107 4280.6816 5924.6665 15791.4642 4682.0014 5422.7651 6818.4065 3870.2718 8786.6647 8505.7320 13605.0729 4014.5054 16985.2074 2667.6654 6433.6271 3349.2739 7725.1182 5074.2954 4286.1398 5120.2965 4033.2534 8076.2833 4039.3575 4934.4242 7449.1719 4988.2572 7201.1730 5173.4295 19896.3613 6613.0708 10070.6761 12797.8482 8270.5022 15185.9968 7426.8877 10942.2134 3852.6253 4289.4150 10580.6123
Pyridoxal 4258.8025 10217.3206 8579.7909 7009.2344 8218.4536 4464.8238 3486.7067 10658.4511 19666.3322 10532.9766 5985.8643 2937.3661 5123.9195 2625.8354 8657.8797 8315.9522 9175.0576 9016.1981 10723.6985 4973.1389 13701.3263 9337.1498 2835.3650 13222.7528 14065.1432 12791.4353 12983.3586 5548.2522 7462.9415 6747.5293 10631.9699 14772.6285 13953.2224 3753.0700 9390.1534 11335.6559 5820.1490 5683.9353 9234.6724 11108.7933 36315.9823 6765.8542 9222.5490 15089.0630 14570.7236 7295.7957 13017.2540 8347.7373 19466.2896 14135.0200 10016.5495
Pyroxamide 5231.1681 2754.0665 3578.3989 1463.8995 6489.9832 1248.1544 494.4946 2154.8287 1745.6312 4135.0280 2601.5527 5170.7250 80.6866 2358.5843 777.9571 2332.0886 158.9024 597.8411 1593.8942 885.8897 439.3042 3928.0941 831.9444 2159.8790 2940.4995 4081.4457 1705.0820 3809.0662 4666.6254 137.9353 2154.5371 5597.3658 5162.6599 2565.1749 1191.7595 1836.2224 688.3813 1671.4853 1616.1918 1422.2327 3495.9258 1184.8883 319.9316 423.8057 2247.9025 1043.8062 1689.8562 4289.7005 836.3837 1345.1206 2599.9745
Pyrrolidine 2438.3842 6530.2010 4381.6032 4480.3045 4422.4594 6734.6886 2902.9192 22483.7481 4791.9295 5442.1046 5698.9781 4572.8153 5221.5222 8177.7483 3193.4848 6831.8054 4493.2047 280.4280 6737.2194 3742.7800 6016.5810 9891.9893 3589.2140 3283.8214 6364.1260 6296.3434 4629.8700 6904.4235 1027.0197 5872.3359 4674.7542 321.4100 7008.0694 8491.6986 3181.9248 5414.9324 8089.7998 5191.7169 6499.8473 6802.4088 7083.0743 6444.4567 6162.5888 5109.3092 3950.6785 2159.0905 14794.5363 1757.2162 256.3105 4834.4282 6588.9817
Pyrvinium 1678.4443 12679.4084 12979.4160 12985.9952 2641.0494 101.2319 3727.1902 4566.5410 44562.1770 40689.5398 11279.3377 734.3137 16285.6674 4132.8097 13857.3589 5656.2139 4894.1588 115415.8489 73898.2207 5306.2881 5626.1095 15908.8033 93.6591 17434.2869 15097.2256 99293.4755 6064.0406 52704.7957 5350.5667 19609.2837 3646.7599 15702.3247 13193.2848 6634.6875 19728.6203 41468.0871 14999.0555 1717.7323 717.7075 1651.0354 98.2101 958.2858 856.4115 30409.9104 8057.0070 6936.8261 2221.4181 5523.1195 17715.4644 12018.8939 8066.8198
Quinoline-2-carboxylic acid 492.3623 2094.6745 666.7030 1192.4923 5576.2094 2989.0998 2372.0840 208.2047 5138.2207 6784.6276 2767.6700 3255.7651 2509.9882 340.2272 6677.7052 10765.6842 777.1856 856.4444 1267.4305 606.4891 3606.1134 2677.9715 1119.0328 2152.2034 3923.0153 2750.4628 4372.9608 11671.0724 883.3671 19137.4090 2370.8637 3971.2124 14356.4273 1730.9913 1870.0151 653.9110 7857.2353 3750.3139 21164.8789 92.3548 7686.9742 5038.2978 8604.4071 12750.4254 2615.4263 5048.6961 3007.7998 7556.4833 2445.0399 2381.0613 7115.9464
Quisqualic acid 2112.6076 1877.8404 1380.8490 3283.9528 1697.6802 2478.0136 1975.1238 2313.9140 528.1743 1600.2436 967.6623 2268.9202 1823.8340 2049.8109 1751.2035 1420.3430 3170.4921 948.7849 2124.4606 1782.5250 2016.3139 1610.7422 1789.7692 1834.1249 280.5379 3135.9723 2014.3621 1887.8204 6009.7289 1823.8188 2290.6354 2042.0846 1735.6958 4360.5835 1440.9631 335.6848 1378.7479 1657.7124 1700.3769 1922.2576 2694.4780 1846.1260 305.3608 1992.3643 1618.5369 273.5599 1016.5929 1459.8865 1868.7045 1957.9703 1096.4903
(R)-(-)-1-Amino-2-propanol 147.8977 1454.0153 8203.7948 5283.3222 4498.6102 7774.3466 6438.0037 12449.5903 8572.9046 8965.3787 2301.7415 7469.8655 12395.9210 30134.7985 6307.9906 4147.7374 4411.9217 5152.1677 3007.6411 11814.6080 4717.2095 12906.5622 9087.7954 11991.5366 21940.0633 447.9532 817.3182 143994.1976 545.5556 646.1559 290.6488 15372.5838 14765.7265 603.5236 284.0487 1040.6199 5479.2164 662.2001 2750.2282 3236.0110 1738.9994 987.0418 1860.4434 2128.8137 8062.3066 750.0018 1651.4991 8072.0124 1128.5615 3687.6004 8988.9461
(R)-(-)-2-phenylglycine 712326.1248 366659.1106 747673.2769 351817.2072 334602.6976 409372.6913 609123.9464 431177.4114 384564.0095 328996.1276 325970.2645 263535.2745 418469.2644 235265.3397 408400.6457 829687.0705 296338.0902 315615.9765 306865.2507 784884.1869 532526.5032 361149.1582 519987.1937 726080.2857 617548.2173 979825.1434 415116.5298 310631.4454 1034543.3950 368914.5934 399810.3785 879419.8205 475565.3043 278291.1376 842754.4692 544495.0102 216359.0190 666925.6344 393686.0033 326576.9729 608809.2419 340406.5672 459152.9600 518508.0558 321304.5747 626920.7353 1505134.2180 1496522.0850 299056.9632 472270.1787 248242.4532
(R)-[(2S_4S_5R)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol 2961.7092 921.5374 7164.7820 5516.2988 2411.2418 5821.5581 6926.8471 5154.5321 7238.3389 3635.5724 7798.2251 22477.4740 5555.3341 11026.2377 8085.3550 5023.8912 6500.5878 7575.4392 396.3843 7878.8942 14295.4388 6995.5889 8080.3962 38021.4634 6576.9237 482.1939 1844.6968 2280.9160 994.2333 32516.0837 8825.3543 2795.7943 8379.7857 7540.5584 5145.0761 13057.4458 8190.4025 1649.7700 7181.8221 2124.0700 5171.7181 7064.8927 2304.5839 3175.3600 8366.5673 7407.1182 7658.3456 7473.3267 16058.0977 16401.6392 8624.2486
(R)-(-)-3-Hydroxybutyric acid methyl ester 41579.1475 39711.0407 45084.9885 35687.1427 48558.1958 34280.7960 86589.3974 42349.9273 51056.7424 39703.9392 42303.4618 114159.4314 50461.2621 35023.0444 46846.2799 36693.8640 27068.2212 33767.0664 37743.1479 44067.1770 37155.2130 29304.3489 47937.3796 43394.8745 49815.2681 47529.9697 39414.4352 44305.1694 50337.4356 34372.0831 42194.2104 42404.0790 40661.9702 51478.0615 49192.9577 52136.5108 34096.8443 38979.4859 41734.4823 50112.8705 42296.9667 37872.0056 52908.0746 47883.7010 58570.8958 48743.1533 49340.3380 43904.2202 48190.2589 53513.9208 53882.2732
Remikiren 1374.7636 2793.5208 1087.8659 3339.8892 2002.4856 2304.4517 1776.5054 960.2809 13863.7044 4194.2752 4285.7146 2361.0207 2661.6442 194.8502 2371.2140 1773.4090 2238.7363 21195.2716 8405.8979 1918.6380 658.5987 3142.8870 1925.6868 3336.8636 3181.0201 24091.3391 1895.6471 3682.7175 1824.8143 2013.1881 185.4893 1177.9159 2674.5041 1355.5576 2130.5275 15547.0422 3185.1528 376.4403 2219.5841 2403.8442 2084.6033 2506.9022 2338.3423 2655.6494 2094.6359 1626.6548 2752.4326 1898.3621 5825.0560 2426.2864 3635.5800
Resmethrin 1249.8633 1465.6571 916.7940 1298.8940 914.9329 959.6412 1045.5600 1260.1394 915.3031 553.0848 1245.8660 1086.7586 1079.1618 1230.5053 877.7002 1176.7671 880.8696 595.0397 2846.7608 1138.5266 2116.9060 1067.7162 1081.0950 314.0710 1698.4653 1441.3130 271.1798 1101.5938 1061.7174 1449.3884 1222.4164 1189.8481 1155.5575 1172.0845 712.9181 1403.2068 283.8037 1127.4920 1388.3957 1646.0265 2191.6399 625.7797 900.5259 561.6334 1047.5263 1077.4867 1198.1444 985.4334 5620.1016 1283.6141 277.1138
Ricinoleic acid methyl ester 3157.3563 2580.5086 294.1607 33334.7251 2874.4196 3989.0616 85.1241 2658.5835 5084.6060 4668.7434 1066.7694 867.6389 563.1077 2382.2895 2452.4864 2007.8972 1494.2171 3253.1281 4473.0536 2703.3579 6621.6114 23686.6549 4141.3946 415.0235 547.0249 524.1436 1388.7121 1343.2207 3919.7887 5340.6771 1009.6398 396.0769 3720.0489 2173.5503 2245.9862 1938.7431 2484.0302 4747.5815 1263.4732 935.8243 3555.3637 3242.0875 444.8401 586.2507 1254.1795 3071.9135 3606.9370 2774.1477 1777.2624 4449.2327 503.9721
Ritalinic acid 448494.4560 330006.3486 362612.3123 383163.5896 424246.8935 432781.3437 552630.9971 352863.2246 169671.8812 162823.4471 239321.0924 396569.3620 535486.4062 308361.6210 649414.3150 355120.7840 447927.1095 60213.1466 64742.4430 655281.4334 157423.1520 546586.4219 673892.7170 323831.9020 410178.1201 30778.2793 400273.6338 165290.8470 398680.8763 184456.8112 298576.0804 505750.2487 259782.3729 412687.9089 314325.8389 145267.7399 156762.8523 337373.4237 246010.3926 281279.8338 164422.6698 251449.8611 290677.2393 253527.2281 649876.7817 453646.5190 463761.0273 524111.5725 97485.3448 136759.7165 412564.9286
Ropivacaine HCl 3875.1768 2948.3390 2487.9035 3076.8964 7450.7212 5672.4891 5417.6232 13517.2501 3026.7876 1261.5135 2919.1789 3354.3593 3418.5181 6638.6879 4341.4111 3247.9973 2957.8361 332.6740 2823.2102 1407.1004 1614.9730 12967.9502 4241.3046 8235.2247 415.1177 245.7515 2166.6209 3025.3401 7760.3006 16322.0571 29772.4448 3400.4754 3261.5323 197.8994 5326.6453 1203.8312 2870.3586 13964.1926 279.2970 614.6008 3984.1404 4286.0451 223.6746 2922.6297 2499.5328 8225.1872 13605.4598 2937.3521 10300.2664 680.6494 8675.7560
(S1)-Methoxy-3-heptanethiol 123.2980 20410.4088 3330.7424 11116.0832 7493.4463 4450.4962 2190.0063 12414.5962 952.7748 15678.5324 12205.2514 985.0781 8822.8155 7644.4002 1317.5054 121.2792 6455.0668 13186.8787 17022.7664 5223.7179 7812.5063 167.0002 4499.2788 8200.4497 8393.5937 11150.8640 18754.2065 2044.6894 696.1534 11736.1468 7479.6927 9986.4106 4583.6633 9414.3069 10946.5419 17464.2448 22489.1930 26501.3096 27267.2658 40207.1054 27693.7374 20674.3883 33041.6291 21633.0849 241.8426 18666.0483 7127.5571 5631.9837 11232.5335 3960.5904 8143.4851
(S)-2-Acetyl-2-hydroxybutanoic acid 10656.4309 4567.1295 875.5505 7924.6305 4012.1370 730.5268 305.2162 1050.1484 3041.4265 2063.8583 1863.7925 24460.8717 2694.8588 501.2035 2386.1033 235.6848 6397.6460 9267.0432 477.8218 4149.0787 928.3247 1715.3804 90.3678 10952.0894 503.2166 7147.5465 694.5931 3076.5462 1260.5044 1238.9294 14250.8714 5037.8869 984.6433 316.4479 1883.7946 541.1607 7686.1987 685.9537 13338.3136 171.8058 509.6437 36972.7238 147.8130 206.2041 578.3920 4760.0291 2524.9716 1540.9076 193.8309 36594.8569 341.2957
(S)-2-Hydroxybutyric acid 200530.9804 301176.5085 308689.9642 296092.3783 274976.8503 306848.8631 317843.0809 293215.6001 261176.1860 305139.3716 277469.7629 327379.3758 274698.4958 227645.7118 344454.9195 313989.8248 333755.3766 307413.8112 259990.2068 303408.7281 260032.8358 322068.3947 330324.5768 251732.5648 317515.1596 180325.5151 314979.0590 228335.6884 282631.3977 243429.0190 257540.7974 327749.4655 265441.5853 321511.8797 320623.3148 288886.4520 237413.9077 315380.6720 278404.7348 283601.1096 228145.2448 313917.8684 296449.1204 291296.3880 353791.8862 318964.9098 265242.4914 303812.5680 253807.9228 251425.6390 355226.7053
(S)-2-Propylpiperidine 4921.9520 25630.3963 15181.7018 580.3574 3157.4177 9742.2428 15151.8371 356.4762 295.5888 2644.4997 1850.5742 5069.9983 21368.3273 29622.6939 2930.8072 256.1329 1126.4348 987.5038 377212.9823 978.4381 370.3504 563.7228 5138.8682 10508.4802 385.5173 65023.0453 13193.8623 1083.9145 22697.7806 30692.0288 65.9892 1106.3602 51622.0284 1692.1267 354867.6181 68476.3505 1317.6601 9934.9993 12431.5147 6035.4836 38925.5111 45587.5094 326.7449 2747.8118 3579.1955 146535.8223 4738.9744 13482.1226 94275.5755 7118.8476 981.9316
S-(3-Methyl-2-butenyl) 2-methylpropanethioate 977.5466 1482.0552 400.1188 1597.5508 389.4815 287.1166 260.9597 1082.1688 1525.7337 2031.9746 1266.7017 1302.5544 989.8632 1767.6551 846.5582 621.6801 1202.8349 1412.4177 1417.1690 2277.2822 2727.0403 1046.7363 943.9981 331.1709 1424.2784 544.5997 1468.5506 1532.7598 1604.3795 4301.0308 1620.4062 601.1356 1959.3194 3838.8837 597.7418 1929.3672 1636.0175 1262.2669 648.0886 1676.1595 2097.3879 2017.1937 1944.0141 2188.8745 275.0800 1292.0408 436.5661 1567.9472 1201.9577 263.9774 887.5679
(S)-3-Methylthiohexyl hexanoate 299.4372 1976.2616 368.9048 174.5786 854.2958 903.5389 985.8067 564.9774 209.1617 2097.0857 186.3084 883.9487 900.9789 1150.0575 972.5161 812.0102 886.2578 1197.0776 573.5039 809.0868 1804.4019 1137.6935 798.7460 182.7497 985.1571 4709.0172 174.6654 1341.6431 604.4489 197.8981 1582.2433 731.4025 1989.7175 1193.4580 958.0705 2427.7819 1302.6407 4754.4609 1138.3990 958.5796 1083.4502 819.3272 965.3021 432.7556 838.9877 935.3873 1358.9740 667.0812 216.2803 1023.8571 640.8436
Salicylic Acid 3156.1065 4439.8309 101.0680 5149.6498 4034.5088 2759.4529 4265.5689 8788.3707 49612.3642 2721.0979 21709.6267 4958.6918 120.5784 5711.6411 4014.1975 3789.7431 5029.4318 26261.9935 7027.9428 3065.4772 5451.9468 4940.1087 3698.3907 5803.0303 5392.1521 34116.9635 1621.0513 2817.4767 817.5478 5619.8591 350.6214 334.1429 5132.7783 1475.0406 1687.0236 57768.2155 2813.7112 2622.8935 96.5471 1007.0677 3581.3117 1103.0945 1738.3446 1789.4211 4319.8462 4179.4289 4367.9328 3462.7148 5071.4410 3461.7788 11183.0634
(S)-Amiflamine 1843.9374 15854.9778 26592.7934 24174.7169 18391.4604 53865.1931 30663.0079 2361.9195 1488.9809 20741.7702 5962.0869 4387.8473 1695.2609 89835.5962 14386.4479 19312.0170 4543.2866 9916.7510 16636.2656 2734.3647 21231.3429 17697.9987 16852.2987 18988.8889 9778.9632 17108.9387 1770.7691 8359.8454 4089.2781 26725.6619 28401.4273 18939.2050 48154.9906 16270.8412 8558.1165 4577.0556 19049.4181 24737.6658 18882.4125 5978.6009 21481.2645 2227.0926 831.5175 2621.0194 16214.3347 19149.5785 6349.7087 13713.9432 3493.1964 32025.5220 15730.4976
Sarmentosine 3510.2924 11949.1996 1537.5260 19835.3143 222.1466 2435.2647 205.5787 3164.7325 2178.5101 3298.6952 6982.1527 3249.6604 1115.8334 2076.7267 3942.9100 3703.6001 3955.9131 12488.1697 3703.8487 3849.5543 927.5677 4476.2041 2430.5988 4377.2584 4554.8634 6621.0748 3261.7227 4600.0283 4082.3934 3358.8659 3192.5800 3831.8090 3423.9447 4134.9456 5878.1087 12997.0099 5020.8624 2890.3849 1778.9635 2397.1583 528.6524 2406.2803 4538.3387 4485.4150 2279.5432 2714.3116 241.2388 2725.4947 4552.0926 3012.0842 1448.4946
Scopolamine 556.0385 45751.6811 4291.8371 22274.1862 5041.5797 9539.0782 11273.2905 10463.6718 1427.0094 41644.9254 26241.6512 24457.7019 11569.9507 33278.2359 8469.2372 1288.4763 27349.5439 35178.3256 73416.2691 12087.8522 114233.5241 880.8607 11372.3002 16538.4560 33355.9157 7651.7742 57546.8675 24050.9335 1498.4602 20882.4830 6455.6371 12632.9086 19092.2138 17152.3466 40056.2810 36390.5833 33072.5517 1689.4565 36835.3171 45121.2964 57561.8498 80919.9166 51996.5367 45884.6265 2682.2702 874.9062 15642.2877 7914.1967 112692.1237 60589.2948 16770.8516
Sedanolide 1254.6366 5167.0256 804.3132 283.7807 13646.9865 4656.3274 4128.8590 1653.8763 2576.4247 1263.9315 37281.4705 6617.9228 4113.1357 9601.8803 8267.5129 5064.8013 267.7430 4885.7589 18056.0117 1232.5590 3129.7777 1063.8142 5386.7224 25929.5580 73000.9312 479.3587 541.4554 25795.3414 1800.2809 1841.3773 6161.9287 6339.8401 27612.5550 17062.6712 1375.4758 2839.2389 3021.3461 9388.7749 24365.5800 8607.4973 5817.3186 10253.3555 1029.7093 827.9601 9283.1097 1903.8146 9354.0196 1331.5054 1220.4648 3772.2066 4782.7602
Ser-Arg-Ala-Val-Cys 7744.1500 1680.8689 8672.1613 6227.7521 6580.2527 9488.2278 8504.8508 9124.7286 11065.3883 868.0007 4836.7728 889.3610 7558.6007 12612.3752 3555.5465 10331.8197 7450.3869 3034.9086 5699.4525 6126.2281 47020.6948 8650.7447 8573.8746 10095.8683 7039.7981 12067.1074 3104.1654 9689.9089 1835.4174 2828.8429 8709.3721 10768.2912 4722.8112 20509.6286 2652.6782 10010.8820 30269.7974 1010.5443 7930.4106 9896.8254 19189.3357 1764.6054 3337.8327 2199.7562 775.7796 1141.8883 916.0107 5818.7608 165877.6672 1056.3420 2118.7437
Ser-Arg-Ser 82112.9107 66223.9990 197061.6201 137140.0227 70412.2963 72844.0673 194058.0132 88949.8883 74582.0514 68715.9302 74579.4697 87226.8640 91842.9336 46938.9321 53793.7372 89906.7423 43490.2378 135098.2705 86435.1198 104339.3831 91827.2323 86189.5627 91047.3878 74776.0465 49780.8331 111326.0334 84831.9437 116675.1461 84680.5705 67087.8156 284774.6951 78936.2009 45930.2631 108543.7879 81704.7005 101265.3103 76544.8493 77304.9112 157961.1323 100676.1653 82365.8961 41162.6915 97865.1611 77456.1821 126117.4604 44743.2309 80342.3583 78337.0296 89936.3329 89516.6016 74305.0926
Ser-Leu 6217.9800 3476.1992 1586.4191 3405.7804 3216.4287 833.2444 3771.3925 6727.7970 830.7630 3732.3871 3608.2164 5140.4689 3719.9000 1178.6952 3959.3254 3958.4824 4451.4912 3919.4820 1705.0251 5284.3954 4620.4553 1005.1283 21490.6454 1745.3166 5897.0438 5327.0015 5357.2155 3324.7259 6797.0815 7021.1951 1043.3689 7192.7110 2348.9769 1197.1955 1950.9164 3838.7952 2400.4111 6087.8461 18586.2411 4366.9949 2067.4248 6177.9481 4720.0617 2443.6557 356.1985 3008.5885 2358.3201 4946.6416 3911.1534 1496.1639 4363.8076
Ser-Ser-Lys 9872.7823 12151.3854 6938.1228 3263.4794 7174.9558 5620.7293 6752.4810 7825.9583 8766.8739 9253.5428 4321.8586 3705.0419 6708.6562 13510.6951 5404.1882 6521.7321 3778.9062 7787.6448 29146.5364 6393.2436 78201.5823 6070.4284 5197.6490 2306.2609 6568.9099 11774.1845 18258.8953 10839.6962 9585.4434 3182.2378 10422.9925 9263.0259 2378.7311 7938.4049 8639.4438 7591.4151 5445.5308 11168.3110 6972.9491 10291.6464 22005.9662 42487.4133 14587.2994 10275.9386 6242.3570 6135.9153 11827.4328 6549.3571 75602.8694 17271.4291 1800.0364
Ser-Ser-Val-Gln-Glu 5055.6806 4975.7374 5986.7232 1814.0657 651.3913 5593.6327 3431.0508 797.5059 5698.6362 6050.2901 994.6534 1049.3595 563.1714 3146.6285 4662.0816 6538.0080 1324.0279 4862.9206 6831.8165 5834.5137 17585.3112 6893.9276 6131.5254 2569.6754 5617.1956 2526.3563 1227.7469 136.6509 5118.6001 5996.8077 45539.8501 138.3424 3824.2860 2393.2357 15667.8998 649.5412 1472.6594 2352.3118 1395.9489 556.2145 3255.3463 1412.7425 4578.1645 4305.9358 1804.4787 15145.4881 7810.3811 2863.2144 16721.5396 1102.5828 21471.2364
Ser-Val-Arg 2490.0429 15377.1115 12783.1763 19353.1130 3119.0066 105.1121 3375.6202 11901.1061 74010.0148 44246.3422 22609.5844 992.5861 9799.9894 4081.5523 12958.2051 4976.8769 5363.2851 123097.1860 70739.6357 3582.0462 73.9773 18291.6017 194.7753 21496.0549 20496.0902 107035.8493 544.9521 51265.2388 6112.1396 17609.7390 4205.7481 350.4504 16610.5275 9413.0668 23891.7529 67618.4373 15611.5079 3811.6223 1053.0740 2643.2450 708.6645 2215.2191 1608.3326 30658.1277 6540.6524 5707.7029 2575.1445 149.8740 17302.0895 342.5883 15212.2713
Ser-Val-Ile 2494.4092 2752.7971 4892.6975 1275.3651 2302.9293 1927.6756 1666.6732 12388.7866 67055.5446 20210.9471 19286.1705 1660.0151 3503.3386 23677.4121 1332.5126 2812.3904 2618.7902 99296.9046 28111.6299 1380.1405 5283.6708 1319.1249 2380.9758 1503.0439 1118.0414 261888.5468 3798.1776 47440.5436 4360.0712 25316.0929 20047.0551 51277.7454 2098.0642 10263.2286 12746.2615 130559.6036 13179.4660 3847.0609 1876.3469 33498.8564 4122.0351 2412.1047 4152.6432 10711.2528 1724.9704 4210.2437 3256.3805 1829.8105 28257.0789 6899.0670 16223.2777
Simulansine 1923.4542 16571.3091 6528.2870 20683.0876 2127.7678 276.8764 2086.2580 15687.1354 80294.4014 25060.0716 33215.3977 650.5035 432.0107 2572.6675 10862.4744 3120.6745 2636.1102 92829.4285 48170.7079 3133.9530 770.5726 18302.5241 244.3006 20293.3695 19701.8442 77804.5228 1832.8528 25677.4899 4853.9918 7749.7282 3727.7994 624.5801 14482.5995 6889.0101 15046.0041 75279.3820 11726.3080 4620.5789 863.4270 2719.0686 765.1931 3144.4734 2541.6817 15730.2681 4764.9837 4285.4485 1322.0527 358.9226 16563.6043 622.1130 21101.8953
Simvastatin 12622.4004 5253.6089 491.8110 629.3642 14855.0337 9078.7793 18455.3908 2845.5309 108.4317 410.1931 492.7296 14789.9912 1686.6438 7487.7265 115.5251 9964.3540 8751.2308 2962.3224 5299.8183 158652.4720 5438.9168 919.8706 20216.1222 118.0931 108.9799 404.6673 3413.4685 354.5874 616.7561 5774.8617 12573.9164 2873.9726 5546.4097 17852.3755 1315.5893 135.7098 1480.7565 482.9503 6154.0768 20148.2166 620.4930 816.3760 136.0245 859.5488 22130.8310 15803.6298 6557.2270 21766.9615 5532.7760 14013.3634 1452.3883
S-(Indolylmethylthiohydroximoyl)-L-cysteine 3150.5316 1974.1528 2393.0813 681.1832 2490.1506 2025.2264 2761.1024 2748.0628 1331.9628 1445.6456 2773.3033 1271.0387 2932.7383 2300.0233 2224.8575 2622.0309 2090.5881 2675.2067 3692.4380 1684.7630 9991.6967 2728.8662 2452.8717 3433.0652 3668.9431 2944.6959 1746.6612 2974.8147 3339.1573 6751.8620 5304.8597 3062.0456 2022.6314 3647.8732 1008.3928 1506.8751 3120.5177 3180.4669 5477.7539 3194.1245 2523.9710 18153.2885 8432.0055 4536.1496 2141.6496 3231.8471 3096.0983 1957.0500 7401.8370 1239.7962 314.0724
SM(d18:0/12:0) 194.1368 181.2420 780.9961 95.2167 479.2292 447.5690 1456.0486 654.7852 452.1378 744.3923 96.3007 611.3347 1075.9371 695.0506 294.5778 506.7646 101.7404 305.9261 224.0858 1158.9946 637.9624 314.1140 1191.1092 595.2244 674.0475 546.9742 484.6027 638.0999 782.8196 669.5871 721.0755 752.3182 903.9579 701.7495 608.3884 214.3791 980.7406 1467.1998 1018.9733 98.6536 694.2634 696.5022 2777.6198 303.6866 277.5315 461.1011 183.4654 198.8447 792.8821 1206.2681 606.8858
Solanidine 2404.7909 23103.9673 6811.2716 50759.2947 1486.0342 612.4933 32772.9545 2834.2112 11826.8713 3030.7656 748.2041 83.9999 908.8160 784.3349 104.1690 66311.2908 402.7497 5091.2517 14020.6897 25519.0372 798956.9386 20.6115 18436.8278 1245.9218 37074.3303 704.8460 5876.2375 141.0474 813.8847 72.7196 33829.2713 2480.0389 24620.5176 135688.9770 320.1387 84295.4510 255891.5931 52577.2719 281.6249 3976.3361 87594.4541 35930.6264 35781.9615 1023.3295 1067.6860 41776.8546 1571.7861 1469.2107 4203.3166 31337.7010 1727.9428
Sorbitan laurate 2930.2161 4651.0624 94.1275 842.4433 575.7743 908.0096 397.7432 8803.3670 1412.7735 1233.4390 8083.9333 789.7038 2517.8164 96.9755 100.7704 1687.1100 620.1863 999.5483 4204.8577 1169.7927 2889.3016 1014.8872 101.4561 2424.6891 92.2588 2237.4537 1219.9372 2680.7888 1284.1128 4383.0998 3222.0143 1145.9123 502.7056 840.6939 96.4535 1027.3254 2657.6799 2140.7730 1282.3490 704.4655 3489.9051 2763.7404 2171.7902 119.0850 2354.1173 917.8565 7786.7762 370.9999 1377.4838 2485.9996 1261.9806
Spermidine 27940.6141 4426.9032 56019.2655 5929.0605 14233.5652 52515.1724 15082.0771 266902.9850 21733.1976 37589.0076 37991.9580 58736.1867 2385.0577 937.0930 39181.9819 66611.0655 1588.5098 35116.7335 57413.0794 1022.7211 747.0956 70132.9890 15793.9516 104802.2761 108165.4265 175503.2882 31596.1515 15636.2476 20619.5153 7513.3327 5433.8621 37393.7680 9772.3055 65268.7900 54397.3184 12548.2001 45882.9118 681.8531 25083.2766 19264.0981 22392.6949 3768.1009 12120.0392 39606.1783 10084.1357 29580.6340 77700.0119 10692.5568 35785.0212 167515.9681 31140.1770
Sphingosine 6329.4069 2396.2616 37086.1123 8170.4744 4020.5831 18548.0615 8942.3693 5730.5245 44500.6865 67069.8590 182.4559 13458.5818 21096.5603 9612.4994 2717.9269 20008.1992 3101.3423 5784.2430 3395.0794 2122.3337 372.8252 28160.1089 3259.4388 3686.9317 16775.4396 42831.4134 3437.5566 32171.9647 18145.2943 2098.6363 5062.8929 38177.2564 95.4829 126879.7299 20462.8653 34697.3030 7302.8409 14315.3354 552.6300 13384.1131 43002.7432 27362.4234 889.0345 205.9853 3163.2172 3236.2886 25795.3883 8133.0984 222.2815 22022.9906 22193.7864
Spirilloxanthin 29278.8861 23568.7201 31399.3907 22446.5490 23167.7747 31808.6084 32731.5770 32860.9283 31534.8449 32022.7931 27225.8784 22196.7097 29933.5675 21665.4014 21985.8894 31069.4674 25502.2376 24812.5610 29546.2466 30395.2846 32054.2804 22134.2166 29657.7895 22924.1775 23735.5050 33037.5952 33367.9474 32423.8801 25336.3171 32276.5098 34104.1073 35263.5535 34761.5332 34096.5652 23827.5361 34009.3042 32951.4913 25592.9214 25817.6807 37568.2110 36877.1996 25389.2828 36481.7249 31611.3976 23212.0494 29946.7009 24467.9668 30978.6370 31905.5203 28161.2928 26813.0207
Stachydrine 1214.7667 3176.3527 4608.3462 4342.1408 132346.4069 5162.2137 3974.1692 876.0851 12324.3080 31627.0803 1006.7828 3135.1055 10376.4445 4551.1028 24817.6461 1311.4831 5223.9819 5359.4775 18485.6920 132924.1575 3732.1125 10767.7626 240.8082 6953.8528 7992.7336 3355.4780 5940.7290 701.3935 4276.6510 825.1385 3724.2355 2325.6440 5417.2145 91115.0364 9414.3559 2873.2525 23035.5577 4381.3042 1906.9765 11983.7248 2348.5047 6474.3498 3873.3919 11143.1083 12274.0285 4190.1842 5623.2246 35764.9716 34833.2720 1153.4677 160414.4118
Stearoyl-L-carnitine 1859.6676 63964.0776 3112.9161 7077.8770 257.7579 12976.4555 1978.0436 12188.9021 13510.5817 2472.2353 4254.3882 6867.8358 29815.9009 10722.0183 1033.5908 5909.7481 2290.8870 9681.3179 483.0841 5559.8825 7543.2508 9205.1431 845.6349 1869.5530 4746.1402 11507.5549 8667.3722 13740.3972 10947.2006 88.1129 19237.6309 5800.9863 76.7286 9217.6387 14224.6216 70.8287 2760.2664 6170.8913 93.7706 1434.2700 3200.8724 10305.4400 1225.4912 3372.8459 4259.2677 5916.8907 11717.0055 10858.7734 150.8078 1055.2687 10091.6527
Stearoyl Serotonin 30114.3142 744.5753 1194.5068 412.6608 631.0145 204.0732 7949.8064 114.9898 20347.2739 1477.3300 1548.9856 1109.5265 1467.3573 1226.5665 4956.5401 568.9442 294.8034 193.5180 429.7087 304.9276 372.5732 7917.3382 218.4934 1333.9268 1132.1990 129504.8706 2960.5624 1541.8775 5824.4810 2120.1788 2239.5131 10611.1929 11937.6991 17466.8990 18800.0318 4875.4785 1106.9053 187835.7605 4136.5335 919.5661 10760.9497 3371.8374 428.1379 30202.9045 664.5154 159.2889 470.4832 133.4605 205.6826 1072.8978 113.7959
Stercobilin 40621.8106 94200.6453 2515.9233 37429.3276 47281.2725 33131.4898 21440.2982 137.0815 63143.5394 112309.5110 110602.0997 52507.7291 50402.6380 76101.1807 9562.3711 38333.8818 26823.8157 52240.6992 28492.0733 24412.3378 66233.0313 51891.8672 29023.9961 64064.1236 152122.6538 1371.7050 37215.6426 76350.9077 52788.4493 4417.0385 76.4516 46646.8205 61624.5390 32353.2300 35356.3021 178972.2066 144999.7971 56675.6860 157267.4215 142949.7902 120818.9954 66662.5013 110617.0142 128414.2395 77.9944 38816.8480 49972.5627 32875.7892 93877.0551 121345.2644 8537.0158
(S)-Tetrahydroprotoberberine 3047.7411 2348.6398 199.4970 2695.2942 1986.3196 2667.6187 2800.9024 3454.4279 241.0742 327.6223 375.0734 2953.7160 3732.3100 2018.4005 7575.7723 2974.9077 3806.5531 2148.7153 1819.3267 2680.8421 2421.1294 1639.8911 3242.9040 2269.3200 6399.8130 3271.1475 3301.3150 1560.7404 5535.1156 2566.5984 3776.5071 9255.9453 239.5505 9670.3144 3348.1011 252.9233 228.4116 2484.6812 658.9232 12183.2989 1778.3952 583.8968 2398.8883 3716.1919 7339.4307 3936.6065 3113.6215 3609.2145 2591.4218 1229.4246 5374.6965
Stigmast-4-ene-3_6-dione 116661.8026 110165.9538 63027.5679 38288.0338 31635.2648 28010.2892 18274.0089 29579.1863 121163.5983 103959.9150 90453.1595 20844.7612 121013.1156 83455.1919 21857.1631 90440.3525 38777.1445 76937.4360 69237.3534 16470.8122 112225.4374 27080.9511 6777.9580 54043.2333 104061.3606 366128.2961 62419.8859 100685.9099 99197.1043 125902.3843 180730.2629 162066.3963 212904.0843 136334.3431 200346.2736 29679.3546 53976.8197 307164.8348 61072.8359 46610.5898 163064.8672 110400.4057 62262.9366 219467.1939 14125.2121 31649.4298 49244.8575 31845.2245 63184.0868 121774.6708 28812.7503
Suberohydroxamic acid 2952.1112 1812.8134 1390.9191 911.7930 531.7518 876.1816 868.4307 759.5219 1153.4809 1015.6797 790.2371 932.2213 842.9812 729.8658 809.6204 2203.2504 711.4708 196.8042 760.6277 838.6042 402.5234 681.7413 766.4589 948.3725 1850.7062 1783.0889 714.2015 323.8848 2623.1239 710.3191 697.7560 2260.3565 592.1460 264.4980 1091.9205 904.7789 644.3682 932.2779 234.9156 641.3794 593.5789 248.2969 506.7879 826.5592 106.5290 876.0126 1042.9713 1646.7487 695.7922 446.9885 101.9323
Succinic acid 1848.0873 1131.6265 1574.5882 2391.1004 483.4983 1295.2042 209.2591 1089.6003 1919.8206 2088.3050 1215.9817 1334.1090 796.8522 2903.2010 592.0170 1468.9642 1261.7570 1969.0521 2263.0785 923.8723 2193.4067 751.8260 974.9431 1139.6379 2307.9239 2232.8786 1625.1168 2455.6212 1557.8737 1161.3740 1454.6013 2206.4592 2663.1422 1673.8372 2312.7892 1998.5445 5406.7398 1429.8700 2361.1472 726.8403 963.3684 1601.1896 826.6825 1948.9426 587.3293 1306.5940 766.3372 131.5411 1765.4345 2080.1052 2630.4500
Sucralose 49806.0995 839.2804 32419.0491 178.6053 9639.9929 43586.4942 22869.2643 49447.0382 9727.3532 1255.9474 11678.2004 49158.9197 3626.1396 12506.7483 5173.8186 1162.3233 7497.5926 6486.4139 11148.0852 771.5231 2209.0503 7416.7062 22656.4148 2037.4293 7592.9877 65259.2007 6888.8717 14577.8702 50453.6755 1576.5265 3553.5593 64301.6696 26594.4694 15660.7382 10976.0322 14602.3061 16567.8595 2894.8215 5168.1366 3680.3585 17143.7218 940.8213 3425.3970 12214.6036 6829.5064 1669.5002 11858.8850 8792.7722 8949.1879 35649.3104 12491.1206
Sulfate 150470.5475 149152.5211 360199.1492 146158.6209 152476.6516 334567.6650 160366.2353 59772.4450 215082.3226 148391.7967 138973.8973 349437.1062 134241.9823 227890.3791 176334.8608 164181.1200 170829.9807 75186.9240 130589.0435 161375.2811 140862.8381 252564.7864 330218.7913 221534.0232 133182.2864 99426.9028 369054.7183 135989.0662 54867.3557 155552.0447 267932.8390 30393.3944 197732.4280 160001.2733 166060.7847 150102.9349 230790.0264 79887.9336 78039.1801 135362.4907 130995.4535 99320.1639 81796.2639 105708.1649 170492.8685 148291.2245 61224.4362 70944.2703 163448.2818 174376.2029 102965.1999
(-)-Sulforaphene 1176701.7930 91759.5878 467576.5370 38822.2542 337758.5684 630487.5192 572890.5343 1187952.8650 436323.9686 115439.3448 445667.8113 826069.5354 158131.4539 574807.8070 279069.9713 81961.0793 270173.2206 208603.1472 344476.4233 37622.9453 111075.7026 400346.2668 479612.5671 83280.9284 172624.5141 977614.9153 268159.2998 330207.8191 820368.3432 135118.7520 164502.1394 588718.5290 492418.3480 468197.7053 337605.9861 366700.8197 496064.3783 107650.0535 231520.9797 150548.4839 522182.4420 74490.7404 145608.7327 315248.2504 369604.2437 70494.2055 469623.2599 437898.6622 309784.4144 626099.6983 651179.2166
Sulfuric acid 2337.6007 4557.8035 4700.3523 4150.6379 5163.9230 4792.5885 4664.4133 5347.2743 4550.2413 5156.7264 5747.8933 3976.8375 4670.6216 5153.4238 5278.9734 4612.1956 3640.3164 4492.0836 3515.3329 3446.9162 5121.4823 5020.6060 4838.9869 5706.3379 5524.4018 6653.7451 6254.9820 5787.4684 5613.4493 5497.4073 5563.0550 6222.7929 6452.4359 6899.9843 5502.1072 6362.3976 5961.6121 5665.4268 6188.4930 5806.7778 5881.8562 6093.0087 6554.8474 5580.8198 8760.1035 5542.6918 5669.1238 4159.4342 4910.0854 5225.5847 5088.3608
Taurine 145370.2396 27082.7073 77558.2532 14502.5005 70113.0360 96598.5617 90378.7928 169504.6921 77900.9731 34910.5051 79293.2761 116949.2384 34364.3429 86210.8541 71681.2414 27139.5546 45625.4561 44042.2141 51245.7954 9705.9193 27493.0779 71831.4482 80166.2085 23288.7646 41566.7911 138592.5434 58057.1457 54239.2856 127780.6276 39222.4536 38773.4143 99240.0068 80705.6553 88334.1285 65139.7433 68033.7063 82946.2570 29369.5511 56794.2146 40957.1920 92453.6978 25732.9685 40494.9108 59803.2974 82367.5333 21184.8840 83052.4135 73909.7558 61099.8826 99130.6396 112135.9987
Tecostanine 21400.4086 25782.6560 23892.6560 33635.1796 16922.6025 7965.8067 11380.3168 40931.1514 4438.4490 7902.1102 1187.7734 24736.3111 25313.2758 3448.8018 1554.4887 19085.0504 25149.1042 567.2417 26190.3391 12529.8714 100750.6692 1347.4539 10465.5101 50673.0159 43946.6393 290.2077 44768.3036 13315.8709 23692.8299 42704.3694 37196.6247 23429.1524 4419.1152 434.8681 1392.6275 15391.7749 13503.9538 1141.5645 122622.9825 171015.2972 101110.7925 2459.0370 221338.3842 14691.3208 21437.5352 18654.7170 753.6958 19540.2809 392470.0042 33759.0323 945.9636
Telmisartan 1056.9680 792.5480 1220.3949 855.5520 856.2026 1025.5390 1302.0170 3309.6546 4046.1941 1185.5161 2745.0341 693.4758 755.7904 11660.7419 901.4761 2423.8756 906.9620 6749.8387 2354.7377 945.5498 1503.9720 669.1461 762.1867 1092.2976 659.5155 21385.5891 2505.5734 5571.9128 1301.7152 27950.9749 22666.3105 14244.9591 2148.6233 1818.9857 2925.4043 12521.4166 3820.0522 1476.6395 1199.4963 20220.0265 1963.1336 867.7519 1168.6648 1291.6466 1529.6343 567.5461 1137.6981 954.9686 3120.2818 4192.2600 2127.3788
Temurin 1871.7802 3494.5235 774.7827 2502.8539 1937.6605 2035.4362 1484.2824 287.4081 5033.1460 5759.2864 2889.9542 2027.8511 1543.9890 1367.4098 249.9700 1421.6424 1497.4811 980.7929 1299.2571 1305.5437 2304.8946 3030.9176 975.5822 604.9428 1959.7407 1838.9229 1042.6744 2955.6833 2048.0587 2871.7401 1879.4810 1855.8886 2480.2199 6652.7273 3707.3914 2433.0692 7453.6601 3337.0145 6207.7984 4684.6185 114.9714 2517.4097 2844.7021 623.2787 1730.6826 154.3194 405.3027 1633.3984 7774.0725 1775.4383 2369.8843
tert-Butyl (1-(piperidin-3-yl)azetidin-3-yl)carbamate 3301.4152 13253.8335 1481.9839 321.3167 2483.6180 1291.1252 2463.4898 877.6399 1919.4828 12341.9469 1024.4024 3158.2378 2819.2568 12820.2270 3273.6932 3486.0546 2972.6931 2592.0461 3290.1271 3292.4827 4808.8650 1134.8161 1988.0793 270.0436 14835.7163 1137.1547 135.1624 7651.8458 1119.2882 2302.8195 5593.0271 561.8537 4308.6219 3490.0347 1889.4088 1620.8077 1930.8717 1033.9981 2657.8000 945.0341 126.0641 10518.7657 2980.0781 3197.4765 2391.5155 8605.3430 5448.3605 137.0861 3187.6281 2240.5672 2808.1659
tert-Butyl 4-(aminomethyl)-1-piperidinecarboxylate 9723.0443 13216.5257 7048.2949 203.4348 4048.3045 8074.6193 8060.7900 2795.2158 3371.5515 34948.2121 48975.6887 9046.4681 7685.0803 396.3193 7425.0340 9196.3398 10273.4077 1432.0535 16947.2320 9308.2832 1263.5265 16992.1053 7841.7451 864.3107 10213.6080 1061.4472 9038.9276 11948.2571 1279.4717 10463.7385 9535.6813 7164.8693 1104.3349 29603.2987 6083.3740 3292.0489 11718.0504 3035.4746 25595.4514 9001.4226 828.4100 25828.1553 9604.9126 3513.0413 9523.1809 8085.1111 1520.4394 8283.8949 15547.8653 1540.1145 2224.7922
tert-Butyl [(4R_6R)-6-(2-aminoethyl)-2_2-dimethyl-1_3-dioxan-4-yl]acetate 111.1560 5270.9099 1203.2293 1221.9458 1468.6876 1218.8151 358.5667 2013.4435 1855.4513 3559.0114 3131.3996 746.6700 1092.7464 1930.7108 544.7547 185.9740 828.9135 1445.2030 3102.2712 1032.0211 1738.1728 5384.4035 1034.3151 2227.5405 1725.1560 1277.9192 1982.0196 3878.8658 1207.6285 3236.5963 1477.8270 1778.4545 1720.2275 2121.1516 336.3453 4667.6578 6811.0696 1444.4840 3767.0294 1114.9870 2282.3892 5478.9243 1487.6394 2855.6389 530.4643 104.8585 1565.7837 122.1856 1572.9214 2034.5356 1378.6373
tert-Butyl cyclohexylcarbamate 4530.5820 1592.4797 4052.7684 3152.6976 4627.3444 4139.1164 6686.2487 1907.1634 1757.7392 3027.8841 2076.8293 3178.4746 4613.5242 2634.1720 6956.9899 2566.8044 5342.2816 2363.8251 732.0848 7579.4454 2194.3452 4199.6339 8266.9820 920.7086 4696.8389 170.2774 4237.3572 1141.8811 4227.3343 1454.9973 2699.6755 5709.9010 2272.4699 6925.1637 4244.9823 838.8513 1765.8452 4859.8364 1661.6780 2205.9790 1502.5415 3260.5976 4335.2840 4508.9171 9027.7557 3439.5088 3346.2309 5211.5906 607.9573 467.2185 6769.5261
Testosterone 1779.6616 2050.0827 58.1111 273.9942 134.3887 63.1010 1725.4020 2915.1875 1015.9600 495.4542 482.1635 1942.3758 1919.8269 1512.8161 1620.5805 3520.5076 728.0205 986.3960 261.0201 1285.5339 610.5136 1012.9370 62.8582 1101.5160 4915.7651 1002.2773 1351.0430 399.6357 1547.3457 1457.2902 1146.4665 531.1552 1886.5138 488.4201 64.1602 1179.1160 731.1919 550.4630 221.5963 2260.0240 4431.2858 1277.0012 240.5840 420.0190 3122.8753 1287.0905 973.2625 3952.0876 1111.2023 72.3667 58.3044
Testosterone decanoate 27507.2624 10433.4057 13424.9200 3536.2752 3543.8686 2331.8872 538.2313 4288.3235 10557.9679 8752.7325 12038.2036 2336.3605 13503.9697 15539.9029 167.8013 4955.4195 4349.9893 7395.7185 5376.9109 1386.9428 18041.2071 16663.4643 761.5707 11054.8479 6121.2639 40257.4664 11372.5617 5561.3044 40149.4591 8499.5015 44268.1940 16560.7031 3617.6265 9159.5846 18865.1548 3251.4088 10216.0982 47857.3641 9749.5113 3685.9535 8729.0074 18488.6502 5533.8041 9232.4375 1895.2601 6416.3147 34370.7743 929.8155 6256.7630 16635.6203 2224.1862
Tetradecanedioic acid 61015.7503 78638.3863 72119.9899 65463.7138 79678.8687 79715.1561 82143.9228 76117.5673 72029.3478 73418.4322 73176.6796 71173.0343 72132.4931 65751.4021 83008.4916 85879.3302 81065.2850 78844.0253 57879.3458 79822.2642 68950.3614 72605.6600 78952.2709 74640.0198 78406.3839 58306.9069 74788.7141 73512.1180 84027.1745 68557.9807 75971.9761 79937.0026 73707.8082 84988.1885 75310.5379 69405.0878 67539.8517 77558.6558 75577.1147 68585.3851 72754.9621 74693.3722 86442.6285 45834.7318 83057.9909 80823.4366 75422.3496 78425.8549 70030.4820 74845.6767 86423.1992
Tetraethylammonium bromide 61440.3568 23561.8589 35058.9598 28545.4640 13414.5028 3741.6587 4452.2063 5671.0177 17838.3665 31170.0583 13830.2025 4291.5385 4034.2262 20159.2264 15328.6285 27157.5913 2880.5120 5355.7469 13790.4977 10708.8239 11004.0026 48289.9991 3925.1186 14187.1888 43214.7586 14904.3828 10875.8036 17937.3773 44007.7641 5159.7938 32805.1527 46720.2871 9068.5953 7417.7794 11548.1194 10372.1137 6900.7416 12498.0254 9049.0411 16489.8942 8087.7901 20420.7361 8613.3372 11161.0693 19455.7725 14705.4536 21098.9169 26252.5265 1593.3740 6383.2094 6799.8484
Tetraethylene glycol 21999.6017 16385.2443 27946.1125 25785.9291 13412.0796 16465.7056 20334.0658 19649.1609 15647.4989 16073.7468 13227.1893 13997.1570 18048.0665 7896.4534 15322.3813 13581.0968 11594.6195 24813.1165 18022.5618 20156.4050 24417.5361 22692.6391 21150.8829 12875.8385 10287.1678 16160.2259 16409.3103 14632.9908 13831.6495 8096.4059 20041.5119 10264.3780 5843.1986 24437.8669 18466.6454 15367.7760 11246.6315 14503.5659 23882.0314 13243.1635 14701.2573 8906.9257 15007.2739 13358.3952 20686.9321 10735.1200 21658.0808 15389.3993 14694.4385 16920.8017 15153.6825
Tetramethylthiuram disulfide 14003.0607 12974.1666 12590.5829 15957.2247 13836.8125 15349.7486 15094.0415 13351.9339 14091.9020 15470.6750 14377.1515 11600.3505 15155.0600 12693.9247 14881.5429 17542.0280 13696.9301 12858.4579 13676.4782 12794.0032 13175.5240 12908.8698 13142.6581 14733.9492 17078.4800 15391.4274 17751.0906 14928.5324 14919.8892 16872.7620 16439.3213 15368.4303 18459.2991 15401.7317 17079.8538 16937.7887 18167.3698 15255.0388 15478.8781 14440.2560 15560.5143 15633.3112 15382.2311 16390.8805 15516.0608 14622.1558 15212.0210 14590.9212 17866.9788 16655.6121 16567.2111
Thalicarpine 927.5099 9179.7765 5650.2016 10191.3983 1448.4903 5156.1767 5880.2621 4574.8608 71488.8296 20252.4608 16401.0786 448.2155 827.1893 1322.3719 6172.4464 4689.0898 2488.5074 127139.3735 47471.6944 4258.6687 1760.5776 10094.2300 4382.0255 12408.9418 10061.3371 127972.9009 762.9021 20207.1846 1827.3239 6671.3710 1406.2263 3623.7434 182.6053 2140.9277 9143.5787 84964.7729 13047.7882 1685.7057 927.0471 2442.6405 520.8503 1727.1986 1312.1204 12882.9888 4323.7554 3903.9317 269.0914 4800.7556 17905.2621 6912.9876 12497.1082
Therafectin 20259.6233 945.1253 2101.6606 1553.2537 328.7393 9889.2651 8766.5763 399.3059 16953.8759 35433.0289 4738.5835 7697.5082 17772.0969 17539.9876 2464.6036 14779.4242 1465.8673 1819.7648 2892.4714 8253.4777 1064.0389 13494.5000 11944.8595 6978.3807 18520.8884 14302.8666 59287.5973 418.5627 23595.2910 20435.4467 21500.2110 20081.4215 28490.5063 8518.2021 71.9571 12001.4447 71015.0431 20909.3847 86977.6409 60292.5062 39067.8951 16328.1251 134017.7077 57521.8598 146.8978 12992.4994 19020.5821 15857.3585 1879.8853 15178.8414 1098.1981
Thiamine 80066.5161 826.8693 2685.9977 394.8406 218073.5051 183.4194 406334.4412 14609.2904 1745.7183 1264.1506 1746.9040 565.6665 30926.3973 74.8130 1408.5299 4323.4887 365.0228 2126.0913 1831.0549 32468.6458 3260.8425 1385.0910 919.8044 2574.8224 9673.4742 16170.4601 1583.9265 37228.8771 19544.6889 9426.0772 313999.9813 99200.6859 18330.5452 2776.0996 7055.6751 3744.8528 809.8230 933.5265 2824.6921 4740.1658 775356.3237 187.7567 5142.7795 24746.6986 241.6299 3978.0625 4558.8242 3786.3652 26596.5556 124025.1317 196.0788
Thiobenzamide S-oxide 2913.8518 1696.1336 2201.0529 4772.3116 2455.0713 2103.9079 2304.9002 502.2997 2105.7706 2132.3373 1612.0822 2652.8511 1196.9652 2800.3534 2652.6790 302.4241 2169.2637 1462.3114 352.5597 2629.1024 1856.0243 291.4356 4437.3698 10575.1461 8009.5346 1189.8096 2359.4121 2186.0820 2112.5528 252.3542 2915.0793 333.3799 2605.3793 1569.1164 961.0361 4294.4728 2775.2359 2264.1215 3346.5147 3344.1809 3737.9021 4490.5786 2837.2048 7550.9337 1401.1235 2904.7473 3601.6467 2287.9725 2050.7986 3423.9187 1682.9882
Thiomiltefosine 232.0101 1611.1045 16712.5308 10160.8088 5885.9487 8559.7474 7206.6494 6371.0865 7620.8780 8133.9392 3277.8466 7059.0077 786.0555 10919.1542 6753.2841 1618.4285 10474.7129 3799.8398 16131.6061 6813.7597 6223.5170 15412.1900 7798.7668 1826.7127 5222.7620 5587.7834 17178.1747 8215.8557 5346.0770 8591.4461 6840.1591 3538.5315 2204.2462 8314.5350 3939.6571 6383.0422 28796.9178 6146.0441 8015.5390 4175.7934 1359.9316 7885.9197 458.5411 199.8840 6531.9133 1277.9687 7460.3178 7212.2220 6343.4647 9928.3178 8657.3642
Thiosulfate 28764.1587 58991.7571 54224.8504 41242.9754 34951.6450 32743.2043 31293.3104 34414.1140 30400.9257 28951.2799 26876.8479 36761.6045 35707.7289 20367.0685 32073.0689 32812.4309 30113.9532 28148.1774 25766.6418 34067.5674 29806.4426 30510.5575 31017.9908 35893.4866 36202.2308 20418.6071 24813.0662 165025.0329 209539.9779 31311.5656 27256.2710 32156.4936 29541.0102 25674.2328 34101.9387 37489.4138 32084.9813 31938.5775 31981.5668 43774.7909 28097.7198 24881.2471 30447.1531 63355.8326 34169.5291 31591.6016 29293.4024 23788.8828 30661.6033 32176.3014 30682.6852
Thiosulfuric acid 339568.7003 59428.3214 201875.7014 92241.9759 52117.9625 127618.2663 71149.2902 58413.3413 81781.7713 50876.3446 49079.7196 85007.9233 43643.4019 85454.2511 197989.7047 266282.8906 346538.8358 72041.3267 78261.3222 88659.9898 121958.3225 357684.1331 76405.9556 372722.4442 134927.5562 218180.2427 121022.4255 169619.1449 118604.8434 130736.0257 54636.5202 270256.0486 365122.7092 86171.0602 76735.1335 237260.5840 65856.0052 254725.8724 60516.2080 229167.8108 76639.8686 239128.1859 56408.5289 73994.7218 65587.0622 125961.3178 358517.1244 352878.8269 56541.8285 104540.0917 240768.6124
threo-Dihydrobupropion 1031.0944 662.7631 1331.2922 754.3979 1000.7901 1103.4501 1166.9561 860.1139 971.8828 893.5492 823.0232 183.9287 1256.2735 1095.6560 1720.3576 1125.5421 517.3035 452.4188 237.7899 1248.9119 746.0740 770.3080 1448.5336 729.1861 1643.8551 1021.9657 1416.3312 879.6538 1643.1617 174.1494 1543.0949 2070.3757 536.5831 1904.7489 1432.6556 1067.0743 738.8365 1114.4993 755.5663 1201.5185 463.4614 922.0071 1181.9373 1213.8129 1964.2881 1476.7506 1468.6948 1643.2280 624.2071 990.0427 2059.4858
Thr-Leu 5472.1795 2010.6667 10252.2465 3938.1259 6314.3861 3264.6627 5488.1416 6095.9748 5142.8078 2773.2135 2013.0499 1147.8762 12031.3267 1433.1791 3570.9485 491227.1149 4605.2955 1584.3634 1481.0735 1748.4498 5104.9180 2542.7612 8318.7749 22580.8220 5396.7654 5274.3256 4196.5616 451.0704 3252.3785 2187.7747 60456.4652 6086.7890 4454.0515 2456.7470 2123.5483 4259.5032 367.8197 2876.7501 1398.7365 2030.0736 5419.6668 1362.3028 2525.1652 4178.1167 4381.6292 4503.9020 1927.1484 15756.2729 2473.3641 1527.8162 18683.6221
Thrombin Receptor Activator for Peptide 5 (TRAP-5) 1317.5301 164.0688 128.6004 1083.9158 141.3406 1219.3683 1039.8450 1331.4424 6033.5155 2446.5727 2278.4102 1160.9830 119.2157 2492.8208 1517.5969 1034.8639 1280.9471 9046.4624 3214.8508 991.1635 690.3805 1018.4647 1248.9076 2160.7469 1685.0701 29033.9205 307.8129 5053.1300 544.8453 3114.9654 2386.6716 4720.4833 2076.6774 879.5257 1451.6655 12405.0778 2072.2229 617.1454 1726.7412 3836.6583 654.7051 249.1129 526.3646 1049.2540 1551.9170 468.0536 254.9347 1421.9521 3173.5760 1026.5002 1614.2630
Thymine 13880.0470 1431.0518 6352.5443 6292.9688 3597.4797 2401.1845 2361.0869 31587.4020 2934.1932 2039.7395 11399.8123 3008.7806 5848.0451 11736.7078 2829.0053 4795.7913 1289.7989 3310.4382 15299.9808 3156.0352 2284.6752 987.0990 3226.6637 17130.5089 6384.6811 26864.1977 5528.8138 19245.5652 33513.5435 5313.3003 2838.4896 15947.3552 7961.1847 30139.1630 11480.5729 6610.2194 4769.2328 6177.4489 15828.4439 2971.9121 26378.6286 2363.5529 5700.9517 9316.1016 2270.8660 3813.1561 16593.4477 3164.9884 9398.6119 25636.8477 1647.4990
Timosaponin A-III 1800.5319 14056.4855 10136.4804 16530.4006 1861.1889 3994.2808 3657.8032 9305.3741 54295.6288 29481.9471 16992.2976 440.2350 11947.1058 2479.5016 13942.3597 5092.9824 3997.5572 92065.8141 50564.8322 4879.4367 5557.3565 16224.8986 306.7533 15396.3425 14474.6039 74576.8540 6836.5629 36358.2870 4923.6378 13313.5767 2602.8352 11731.5919 13474.2759 7262.8332 17880.4166 51944.5245 12782.4264 2127.5893 599.8864 1984.6579 5638.2066 1727.9628 851.3861 22810.9121 7007.2212 5460.8680 1755.0222 4826.5516 11981.0626 11180.1170 11966.9660
Tolterodine tartrate 615.7709 3311.6716 912.1031 1497.4834 2842.9600 1247.7684 1186.0176 2607.0462 1097.7010 2443.6840 3906.3070 1275.9862 1927.1223 1061.8722 1450.1991 1343.5181 1016.9308 2937.8419 2703.8817 1562.9779 2815.0967 2873.2596 1205.8046 3249.2033 4618.7337 110.7475 2161.0547 1202.8933 443.4775 1617.2442 207.0329 804.5366 3666.6590 2574.3785 642.8916 2357.9916 3204.7294 3516.0175 3206.9097 4018.8014 2838.2742 3609.6790 827.4333 1847.1163 1323.9191 1248.1965 1106.6532 1001.1605 1940.2660 840.5138 835.2584
Tomatidine 693.6895 313743.9064 55333.7694 40617.2513 113.9415 3946.3789 98.3154 38365.8046 1367.0384 478.2711 2423.1866 12531.5670 49515.5654 67504.4759 3635.9381 493229.6487 5002.8198 12570.5896 15463.8016 44619.5847 7421.9872 4556.4895 972.3771 47936.0710 1623.0609 2898.5229 838.1296 1312.2156 44941.9640 4636.1081 45561.6947 2044.9006 29553.0615 423331.4158 5490.9309 453.2754 4969.3698 2788.3575 51.8159 1440.1818 56701.6286 378.7537 51988.1535 11047.1107 1600.9119 732.8675 47076.7864 2930.6364 551.3795 62929.9775 23330.4633
Tranexamic acid 1119.6422 10248.4877 7995.7357 5673.9327 9510.9363 2570.7440 2721.3909 2090.5220 657.4545 12675.3450 11927.1639 1844.8485 4817.8870 772.3680 697.7016 6891.8682 5802.3290 3640.5728 4946.4972 3358.4513 12801.2717 1333.9405 4029.3148 9790.9248 6810.9036 14458.7312 4973.7850 8490.4571 1744.5994 16315.0939 1657.0688 6018.8786 29053.8734 1126.9042 1464.1643 6277.3431 38820.3576 41579.1012 15693.1318 8124.9467 4206.5619 6565.6566 10567.3911 8459.1555 5860.6790 4054.7109 11424.2737 717.6361 8223.3607 846.2485 3527.4391
trans-Stilbene 478.4179 98349.4974 78432.7218 245295.1362 151641.0095 415733.2052 234926.8685 626432.9749 2347.5368 71338.4582 4675.2173 3405.5763 85316.8273 114625.3946 116220.1176 106906.5406 4690.1303 55821.4339 70973.1258 163573.9039 2931.6733 119664.0976 132905.5673 139590.2806 135198.7765 42614.7339 155124.6770 72081.1254 82348.3603 5829.2526 140525.0593 102422.0981 320957.7493 4850.7518 77466.1948 7870.4779 36679.8477 155064.0368 98640.6146 32386.5229 105271.7550 3489.2446 83680.3478 27909.8076 153630.4982 250867.6755 109734.8569 127710.7369 13259.6914 75116.9587 32293.1063
trans-Vaccenic acid 1166.7608 4070.0561 96.6702 3631.0502 591.9839 1380.0825 934.4148 83.4938 1562.7400 3376.8521 921.9590 596.0823 4255.7045 3701.2227 1049.8276 4587.5715 214.1018 441.3520 859.3136 220.8148 2055.3899 3604.4320 1436.1989 1930.4620 803.0161 2227.3427 1175.7955 1261.3539 3889.4893 3002.4357 1593.7985 294.2201 1553.5220 744.6047 535.7787 1466.6813 1687.7023 1077.0077 1450.8259 642.1801 721.7650 500.6937 1976.7504 1449.3933 2361.7051 2802.1716 3248.5279 1534.5226 112.3711 1141.8874 1222.4150
Trapidil 16274.9852 15220.3226 23709.8269 61613.3795 21991.1336 71232.1711 28474.2218 12042.3167 887.0684 1209.6446 14735.8682 1636.4535 15120.6688 2277.3918 20897.1517 2523.3903 11123.6340 1235.0527 11557.3311 21802.5075 14601.4193 15068.8604 18161.2758 16116.9110 18036.8199 2079.7323 24839.2498 11413.1220 14608.2909 17450.6418 9887.4561 17204.2574 59418.1276 20128.0739 1547.2797 8910.3847 1041.0841 29597.7212 18844.7109 17441.2866 3097.1961 13512.5940 16541.6284 1227.5387 22508.4417 18850.5284 19684.5722 18868.2721 11906.2425 10688.8001 6465.6220
TriacetonaMine 1808.7301 278.1119 6009.6160 5276.8201 16606.1220 310.1408 6400.5050 213.4508 31402.7526 102960.5345 73488.5779 3154.9123 72667.2585 4364.3565 3225.9735 17128.4633 804.7511 1249.2004 2421.8405 183.6327 380.1794 83614.1922 16160.9608 6594.0314 237.8478 15419.8798 2323.7310 31407.8898 15834.9270 28481.8178 17611.5639 8876.2274 470.8416 601.0300 124330.0969 1131.1241 3504.1316 3202.2336 2004.4538 5728.3764 24467.7311 2803.1972 2268.0334 10598.9236 1263.9888 2433.5270 38460.7658 76.3024 143450.5960 4020.2122 95208.8871
Tridihexethyl 1443.0998 653.5514 1176.1899 668.6240 1139.3746 992.7430 978.2073 1203.4534 244.7852 654.6439 648.5560 1406.4280 507.7389 628.2115 1202.0458 979.9907 1060.3440 475.2952 657.1275 618.8096 261.3440 218.3862 1157.0919 686.7103 542.4011 873.2732 931.5528 440.0280 1239.2314 1447.3335 816.0121 938.6513 3791.8023 1064.2790 949.7129 868.8713 632.1482 1202.6657 693.8423 874.0952 482.1715 678.6386 856.3953 800.1971 1004.2054 785.2415 855.4002 1407.8709 728.7727 905.0789 589.4647
Tri(ethylene glycol) monoethyl ether 302.2147 1706.9739 640.0915 803.8866 1402.1147 478.7496 486.4426 493.0970 363.8193 2277.3375 1766.3384 77.1268 627.8214 1866.7844 293.1427 2490.4521 173.3446 882.5851 1468.9914 199.1146 2188.9377 393.5176 442.1289 371.3701 575.1081 965.6580 666.0377 1140.8580 587.4702 3435.0694 793.3368 611.0508 2672.3268 88.3837 80.9759 1030.0223 2156.3435 1059.0591 1919.4759 1398.3739 2160.9752 632.0848 1083.1071 724.8312 180.7339 92.4800 91.3072 525.1625 394.5026 92.2687 167.5964
Triethyl phosphate 5270.7298 2863.1871 3317.1551 6653.1577 3809.4658 4305.0097 5732.0042 3585.9950 2551.5877 2113.7635 3520.4454 3898.9508 3702.7830 2752.5936 6097.8910 4382.6146 2926.6446 2941.1467 2484.8533 5999.5062 3414.6597 4307.2210 4719.3060 3224.3613 3353.5317 920.4211 4587.9177 2637.0490 3717.4146 2930.1172 4404.7820 7011.4170 1600.6987 4700.4979 4797.2380 2397.2846 2651.7023 3971.2535 1897.3354 3546.1034 829.4280 5887.7182 4598.3358 3628.8013 4971.9977 3412.1588 3879.5274 3784.2247 332.3672 2644.7225 4806.2905
Triforine 1995.8197 1856.9042 1604.9663 1664.2041 1810.7057 1790.4047 1809.3512 1411.5292 1795.7464 2182.7892 1703.4737 1767.0499 1835.5155 1640.3300 1562.3418 1654.1239 2028.0040 1906.5968 1685.1962 1743.0973 1935.6181 1433.0721 2110.2619 1532.1343 1853.8147 2082.8432 1546.8179 1488.1062 1656.8826 1776.8617 1633.6871 1849.8587 1574.1627 1810.7084 1754.4160 1991.0411 1754.3999 1701.0121 1833.9642 1600.9120 1731.1002 1562.3479 1813.2103 1566.2704 1671.9186 1828.7671 1590.3297 1859.2328 1546.8661 1794.7270 1732.0227
Trigonelline 1418.9843 9624.1238 2191.4955 2719.9405 6779.5027 286.5471 1780.0731 1875.1481 189.6747 19897.6622 11560.5674 571.9050 5225.5198 4718.0428 1685.2425 8703.8132 158.8443 5001.8387 2701.8149 6418.9088 4788.3951 244.3807 3942.1913 4542.4324 959.6290 3485.9042 2989.9089 9573.5601 11352.7873 27601.7133 558.1587 2258.0667 6342.7846 780.2254 2186.3592 7107.2972 17424.2075 5470.9947 6811.3423 13959.2705 21377.7362 7003.9868 23760.5500 9543.2995 4637.9141 13510.2290 100481.4884 12748.9115 5044.6006 1994.5494 2368.8820
Trigoneoside XIb 2120.9120 1903.8868 1769.0678 1032.0880 839.3555 1154.4020 1151.4620 2278.1957 904.6511 2028.0316 1340.0083 1091.7130 1787.8040 447.9796 1095.6768 991.8214 1603.6232 1671.0492 1507.6614 459.8137 1721.6625 1885.3335 960.6565 2030.8284 2260.5030 1650.2381 1831.9435 1453.3618 1079.5457 1198.0548 1183.2151 708.7640 1664.3817 232.9434 213.3393 1058.6297 1161.6181 1463.1246 1320.7539 1688.3532 1374.7170 851.3042 416.2506 1568.7316 821.5414 1091.6155 1514.9107 172.9580 552.4531 1203.3391 1554.2934
Trihexosylceramide(d18:1/16:0) 2988.8964 5685.8012 695.8705 5677.1740 236.2397 2966.9222 2975.0003 8450.2712 54780.6083 2986.2460 21769.4584 3387.5934 601.5908 5823.9423 6411.7903 2813.9636 2363.6466 35298.4379 8208.0393 2674.6884 3243.4536 6283.1540 2640.8448 7684.7503 7293.4404 33434.5946 1365.0926 3676.1057 834.6534 427.4213 1018.8723 205.3498 6502.2790 2175.5616 2502.4270 60802.8125 3471.5291 2602.6342 168.5561 1010.0757 4377.3256 1328.6358 1654.5290 2483.8205 3945.2913 3613.9738 4126.4599 4327.5278 5157.9079 2618.4842 13978.9173
trihydroxy(selanylidene)-lambda5-phosphane 533.0301 210.5611 277.9752 224.2097 212.4977 153.6250 378.3162 158.9252 191.4246 113.9473 314.2737 73.6747 163.5294 198.1495 74.3916 101.5074 334.3356 484.3569 218.9872 176.1195 196.9107 317.2991 295.7777 336.2624 352.5200 138.7787 192.3978 90.2082 276.4427 229.0317 97.6775 230.5752 162.8091 283.9537 101.8089 121.5565 117.7432 201.4721 86.7189 192.3803 345.0127 184.4752 84.5454 226.6954 200.6543 237.6248 74.2905 194.2224 189.3038 180.4572 268.6119
(Trimethylsilyl)methanamine 2023.7344 1873.9163 158.3649 1375.9937 1269.5323 2042.6567 2265.0895 3767.3067 1321.9673 2954.3222 992.0521 2309.3368 1981.4287 1848.1045 2228.3323 2371.0050 2379.3136 916.6685 2781.2379 2089.5700 492.4370 575.6914 3715.1858 4162.3938 2055.4833 4187.6581 4929.4921 2397.1860 1219.9761 2121.9016 1334.1057 438.1946 3265.6228 3493.0316 1710.3455 5642.3839 820.9650 1309.4088 3104.8000 1582.0650 2048.1249 3195.8181 2555.5749 6395.0125 2265.5290 705.4288 155.3585 1299.7913 1387.2360 3787.6492 2242.6109
Triphenyl phosphate 1314.8499 1847.2553 2145.0060 1922.9193 2056.7842 3744.1440 2443.2851 3098.9400 2109.8585 609.8354 3708.1242 782.7354 2013.5232 1248.2557 1833.0680 1838.3530 1727.8795 2409.1777 2967.2648 1945.9744 339.7738 1890.6039 3177.0807 2700.0477 308.2786 8120.7305 1818.0268 2498.2769 7327.7572 1698.5424 1903.4531 2651.4403 2615.6083 756.3752 252.1288 3569.6067 3155.8496 528.0209 1649.5816 1897.6427 7492.1605 1819.8022 495.2132 516.9537 2084.4236 2079.0869 2832.2751 2088.1891 2060.4244 5910.1515 2379.2430
Tripropylene glycol 3316.1827 5159.6524 4625.1418 4439.5939 3922.0174 4689.7974 6031.5845 5332.7194 5318.2341 2820.0274 5031.2791 3576.7672 6727.0494 2956.9021 6875.9052 3769.4261 5207.1703 2920.9896 4058.5942 4712.8159 5119.0741 3609.4960 5309.5407 4398.6446 6242.2429 3645.2993 4577.2603 5249.3747 5153.7604 3483.7370 4121.8188 6221.8658 3036.4500 8146.4870 6061.0938 3546.7701 3672.4827 4081.9392 2949.9124 4503.9823 4900.7246 4138.5850 6682.9726 6878.8284 7525.0973 6424.0680 6019.2832 7682.8534 3604.2753 3498.2615 5552.5156
Tris(2-methyl-1-aziridinyl)phosphine oxide 2141.8614 9564.6210 2726.8244 5971.4805 1901.7696 2243.5871 178.7630 2369.6491 3750.0515 8791.3341 8519.1004 2277.0236 3378.3711 13426.4957 1251.5985 795.6829 294.5325 3904.2814 14257.6019 1605.3581 14404.9172 881.9279 345.6985 4810.5193 1051.1613 8500.4834 7456.1518 2865.8654 1902.6761 5503.6743 5187.5676 3570.5444 4745.9581 2376.9289 1406.8678 6607.5378 9484.8349 9108.4385 11514.6731 11718.0385 5263.0326 6093.5930 7985.3158 7333.1809 197.9580 610.0509 1708.9693 1551.5246 23099.0148 923.3748 5450.9588
Tropine 260545.7563 987728.3170 333063.7325 18057.2029 164544.5868 259506.8579 23529.4685 169587.1654 1316472.3820 845894.1561 1613631.2080 12047.8107 70861.9660 805753.2348 330709.7509 136062.6335 8986.1148 1459691.9740 291147.1532 34644.7694 5087.3003 1413575.4760 123405.7321 257985.6961 39241.3061 928673.3125 95256.8623 1036069.0660 2169160.4080 35392.9575 472391.9400 139211.0127 22111.3346 2057495.4580 2552409.6190 117634.8114 2761938.5070 961551.9111 473966.3293 327487.1679 11644.3493 781921.8559 76161.9863 101741.3507 4974.2897 1015633.2430 1884526.3650 26002.1015 490646.7001 623456.8186 685336.0211
Tropinone 10231.9894 565.1353 99.5593 883.2216 82.8427 8752.8100 97.6972 16870.1682 8093.1370 426.5496 18314.5778 756.6925 5533.6603 2330.6624 6244.1241 13534.8982 119.5166 433.7625 27699.7449 4306.6340 30331.0950 749.3187 93.0549 3907.2947 1383.6783 20243.6173 24968.5580 1675.4286 110.0361 5600.2233 616.5306 391.9357 235154.9191 19695.3044 13702.0958 16147.9352 1888.8174 3155.5188 24523.7249 8197.5238 48017.2996 158.4862 20935.9468 15967.3563 4162.3837 1098.7476 88.6463 90.0624 26815.8322 52198.3633 5109.1918
Tryptamine 10855.1973 265.7471 9781.1783 10530.9394 8312.4392 6775.0629 9801.5394 392.0583 8647.0777 7459.3326 349.2751 8603.1189 9113.3421 10097.1390 8739.3253 1340.5637 9350.0663 11809.6490 2569.9812 7208.3781 328.0388 163.5321 9666.5222 13677.0695 39910.7773 20453.8647 18187.5399 10570.9837 11353.0571 23382.6087 142.4601 16604.2751 22065.0483 2188.3002 11275.1544 14270.8257 13142.3662 11227.0637 37910.3951 27681.9025 33935.7329 8101.0747 41645.9073 46151.0655 9325.2692 12380.1863 9478.6568 384.2737 256.1680 861.7187 12334.1763
Tryptophyl-Leucine 5000.3988 1485.9647 195.8826 1398.2030 1519.0034 1192.4144 1721.5017 514.9818 1096.6081 1591.9253 1247.6153 1628.7834 1631.3327 1074.7891 198.6106 1906.8732 1097.8286 1071.2083 788.6179 246.4813 1516.7671 4990.1331 1514.4975 1218.0776 888.3963 1011.1802 1342.2643 275.1839 6045.4952 1972.4147 8163.0544 3093.1579 2458.9363 1630.8885 1568.8267 1345.1300 1300.2503 851.0538 209.4745 249.5990 201.1532 198.7632 2040.1988 1239.1526 254.9613 1044.0603 2053.5230 2299.8437 1154.9270 1639.1953 1660.5451
Tutin 11887.4233 4076.3355 1905.3475 3436.7271 16145.7058 12810.0211 8394.0963 613.0852 4475.7780 2515.7522 4936.0852 8735.3053 5538.8525 5669.8299 1227.0485 5593.1651 7467.6968 4492.0745 2363.7921 6398.5027 4644.6695 5583.9178 7687.4907 5188.1247 5277.3303 5091.2305 3051.9841 5388.1140 6546.9895 3442.5388 5575.1997 5579.4145 4802.0611 8574.5745 6312.5187 4609.3950 4637.4053 5139.0320 4753.9171 3148.5506 5147.2533 5191.2310 3266.1624 4617.9553 7619.7514 2833.9027 6204.0000 15538.3213 5408.1349 8818.8721 10467.9254
Tyramine 18688.2356 647.2966 175.2186 2236.5454 5590.6659 5046.2262 3308.1203 693.7684 123774.8998 4173.7074 186.7239 2734.4953 128.7490 1098.1604 3025.4478 1853.0381 9669.6177 622.2118 347.3991 6016.9342 1295.3945 597.5475 14679.1834 2425.0204 1377.6853 21887.5230 2780.6176 666.4750 8636.4234 4975.8101 6522.4314 1728.9175 1843.5275 11214.7462 7214.3562 465.0287 821.3942 1845.2466 1074.3922 1937.5485 2459.5174 2308.1659 184.7542 12242.9476 11346.5787 3312.5829 2702.8739 10641.4538 34551.7043 1381.5564 726.5714
Tyr-Arg-Gln-Arg 141877.3638 117379.3868 26215.6341 107301.1940 336597.9362 105077.5820 91057.9537 502380.9712 154161.5465 86584.0930 104967.4038 285.5464 139994.3224 90265.5674 87254.3883 78600.7683 5356.9039 101332.3176 105655.7948 90956.6704 202008.8226 112871.9859 14476.3183 279716.4558 611.3625 12422.7555 1255.2237 44097.2410 475357.5482 19752.6974 254229.8051 62512.6023 29890.4894 151470.4955 2526.7738 109935.2327 127895.3920 260700.6530 129052.9783 157301.9169 167501.9627 160113.1234 184034.2224 115333.5602 28474.5995 722744.3160 231085.9791 97042.3153 174785.8218 128824.4740 12984.6150
Tyr-His-Arg-Arg 1591.8364 86.6915 9558.0826 15732.9931 2285.8917 352.6224 3454.3164 10730.4567 180063.3382 39865.4966 42270.6149 828.5453 1294.6394 2673.6466 8412.7571 5155.4135 3733.1300 211527.8725 80569.5387 7704.2033 3648.2290 16966.2800 531.0817 18803.9902 18449.3248 245501.9239 1875.9269 36135.1487 4059.5088 12831.4085 2589.9556 6901.6267 1059.8068 4312.5654 16764.6034 185487.5120 21688.9422 3387.2363 1710.7802 4410.9773 1446.0240 2919.5269 2664.5608 20256.7798 9420.3829 8595.6090 653.1076 71.5392 35198.5356 517.0139 36964.4110
Tyr-Ile-Lys-Lys 91922.0294 238516.7966 48626.8788 55458.5030 70166.6851 58481.3387 57888.9652 81774.8387 74671.9898 330898.1574 102780.0054 6112.9910 73490.2990 103528.4928 5333.6490 91234.6825 38120.1676 32538.2841 304950.9653 39195.8669 597730.9297 48620.6045 60326.5593 33142.5706 235.1038 113496.5891 62639.2386 83243.8339 69224.8387 45025.3570 2281.0315 55139.8350 78284.9897 66789.0245 55599.3593 187287.7953 20391.7803 86267.1167 330974.4773 67626.1719 225811.7244 21473.1230 50657.8737 52318.7535 5582.4078 50146.4399 72353.0031 68807.0602 322842.1796 43650.9435 52179.8121
Tyr-Leu 3343.4411 989.2901 2706.3167 4575.8078 1418.1340 1632.7900 2384.3880 19145.7007 2157.5915 3498.8638 1612.3577 1004.6297 472.8372 17723.5153 1048.1163 3208.0625 1971.9697 763.0695 117035.3196 1545.5332 932.1302 8125.6200 456.6907 2364.0113 2052.3866 1519.6278 15371.0973 6390.2968 5952.5495 2539.9395 7095.1146 4463.7244 4748.4268 967.9627 59004.5318 808.6259 524.7349 17793.6472 2228.5437 85257.1395 264.0590 691.4462 140061.6179 755.4822 4264.6800 2130.5945 2864.2044 3157.7725 106133.7992 14490.8743 6556.7691
Tyr-Val-Arg-Lys 988.6646 12847.0379 2676.2268 11393.8779 1147.1423 1954.8801 3107.2254 13558.3373 77000.4781 11956.6461 33164.3982 2824.3537 738.6743 961.1382 8048.9906 1533.9821 1060.6724 62269.8656 22485.7778 2986.7434 560.9625 11829.3417 50.3218 12353.8683 12288.1019 63069.6479 2146.3095 9570.3524 2786.3213 2413.0135 2499.0995 748.0199 10134.8724 4895.9150 7868.6751 67884.1625 7852.3501 4156.0052 726.7097 2419.6102 504.9863 2902.6361 2614.3082 7335.1750 2558.7548 2294.4421 508.2487 189.6128 12674.3788 435.3856 20303.1659
Ubiquinone-4 743.6156 6358.3855 5262.9943 6751.4931 4250.7564 2615.2826 1052.5845 1551.5170 9328.4919 10724.1585 8880.3959 1774.2791 2250.3623 5477.7094 509.7020 4105.9135 2811.5274 7947.1160 12284.5044 316.1072 9763.4846 193.8917 3426.0930 1362.5420 5547.6466 3882.9189 4551.0346 1642.6411 5736.3852 9263.2559 3991.7751 3876.8556 10339.3691 2384.7796 8759.4300 5328.5643 7932.2319 2947.6093 7385.7751 5097.9940 6217.9534 8985.0285 9887.0649 7791.0689 1859.6317 636.2893 6391.4998 2158.2407 3770.1146 2766.3497 2147.9574
Umbelliferone 479629.8351 153147.7915 702036.8254 122586.8090 335409.2056 598831.5996 406806.7921 482140.5910 240929.4633 128007.4543 298697.0170 585786.3227 252115.3322 235447.9433 169683.0644 183652.7889 251107.8142 292887.0334 279806.3292 199168.6215 188312.0707 197575.1011 487315.2649 241280.0320 366545.0852 620797.4934 235970.1777 314255.0799 669457.6722 130153.0103 195369.2247 999062.8011 473449.6652 411742.3578 328034.7577 372837.0586 263773.5633 226998.5844 242117.7793 251351.2437 397062.5981 176261.6196 273326.9881 370331.2085 224602.4024 268274.6491 285042.0327 212295.2184 293355.6075 560229.7857 201120.1094
Urea-1-carboxylate 144.3510 596.4956 692.8119 2036.8251 562.0528 1238.6972 1358.4150 1333.7126 1615.3575 1895.9663 784.1728 2436.5702 173.5277 1434.1262 912.0090 1193.8052 1470.7981 677.6997 1677.3483 1374.9578 1361.1847 1698.8921 3129.3731 1099.2589 1362.3159 1750.3452 1759.6608 1364.5224 165.6202 1217.8298 882.9219 1922.9013 1344.6334 1262.8285 1018.5704 1561.8152 1767.0160 340.2830 142.3611 159.6710 822.3196 1006.1067 1038.5979 1352.8952 1787.8568 1148.6318 374.4696 276.7961 1042.7075 803.8874 2160.7887
Uridine 5^-monophosphate 18488.7349 885.3112 14923.4931 424.3586 4199.3672 3054.0597 10764.0819 48984.1560 689.1129 5869.7314 6816.2300 2062.1012 20183.3022 451.3131 698.1990 1631.3311 22291.2626 25528.8213 125479.1411 13652.6808 285.9421 136.7784 664.7774 46352.9496 48655.7497 34690.0439 41771.3941 14660.5769 20175.7628 4718.2662 452.7439 2211.7133 29963.8205 57038.8307 33046.2759 3192.3905 8760.1965 15069.0912 7448.5411 249735.7038 4877.9965 10542.8647 278055.5025 40444.6733 20662.2657 35369.7649 25982.0976 16655.8193 126634.2905 22033.3013 2022.8605
Urobilin 38950.1999 19626.1619 45181.0977 24384.3780 59837.0835 27812.2536 40424.6820 28648.5991 822077.3074 28039.9224 13375.5164 3968.9210 43471.6693 352581.3370 4312.2624 58732.2996 16596.3747 2620.9161 115409.9279 29639.8956 8822.2926 28703.3408 45884.5135 513200.4153 2624.7357 38714.4214 9309.9534 26749.7961 1324228.6100 87779.7943 164032.2591 83151.2239 185281.0249 260.0505 14181.7097 40592.5440 7153.8997 73435.3783 42950.3264 11459.9003 28728.1963 13631.8393 3011.0076 143.9562 50280.5928 1495686.3130 1290231.7680 498780.9283 18988.8093 12743.4243 84232.6286
Urobilinogen 57614.2266 95818.8843 63576.2650 49857.6118 7905.5787 41184.3342 43503.3801 2085.0461 244249.0060 12559.2318 4859.0149 52601.9399 2245.2558 10316.0213 60009.5368 69684.7018 69196.1081 81953.3454 106151.7709 75231.1975 55612.0222 3980.7180 12459.2349 583673.8197 23780.3333 13923.3473 2802.0455 491128.5341 46190.1677 55652.6927 75970.8900 9578.5361 229719.4175 12522.1821 84479.5914 5246.7903 5734.1292 15717.7952 25043.7456 4876.2720 15531.3711 72346.5588 222.2510 10558.7007 6152.6527 25540.8776 15829.2268 58776.1018 74735.7430 59922.1406 71295.4053
Urocanic acid 287.7843 319.3440 786.4463 1587.6755 1365.1678 1383.4753 2589.3946 1259.9333 656.9794 2564.0048 271.3050 1285.1951 1715.7388 302.7302 1796.8859 1890.8277 1403.9063 1328.0185 1710.1993 1583.4369 2615.6272 1831.8427 1776.5063 817.7584 1578.1588 2669.9661 1542.3040 1591.1290 1277.9004 3514.2809 2331.2924 1530.3741 272.2640 750.4575 1841.6365 320.6258 2573.2492 786.3525 2096.9281 1135.3351 1933.7452 1240.3983 1731.9169 1111.4159 1551.6280 2022.4298 13182.3047 1597.9181 1945.4678 321.1319 1743.4925
Uzarigenin 10932.4973 10156.7841 8261.3749 5507.0929 772.0478 9982.4665 17104.9420 11130.3263 18953.5346 8720.5110 3825.1839 8722.2529 6914.9507 3691.2077 6531.0509 5096.5257 686.5779 5328.2523 7348.6368 164.1234 698.6383 8722.8425 9559.8188 3500.0882 4311.4105 15218.5087 5816.8024 14206.9962 10872.0967 1724.9556 10026.5192 9173.3352 7185.3114 7903.4813 9957.8868 9034.6441 117695.2106 9216.9291 4437.3888 1861.0056 9687.1902 13159.0918 8942.7553 1019.7656 9335.0679 1445.7382 8675.5807 989.8036 1278.0102 8346.6921 3950.0311
Val-Cys-Asn-Ser-Lys 6532.5539 5353.1226 6898.0608 9307.2973 3689.6141 3235.6736 5298.1122 7035.3861 300.4988 2575.6466 2058.1186 1544.8077 5328.8678 1090.5433 410.5333 1613.9169 2145.9137 1602.5764 1919.3988 6805.1243 10492.7302 5709.8924 265.1938 386.2568 303.2231 4933.8767 2807.6915 8386.3975 27677.6311 2841.6341 795.3848 1093.6024 1108.5406 862.7687 6561.0510 10605.4750 6430.3639 21250.9965 2618.7267 5220.4873 1940.4788 2898.5359 3732.9056 5492.1414 5313.4570 2580.9470 23121.8245 2258.0341 66628.6395 2334.6634 8133.0745
Val-Val 73175.1335 45819.3771 15186.8546 42644.6186 16136.1118 7957.2416 6446.9277 20852.2696 18172.0660 39711.3199 32842.9913 6820.7713 9984.2646 31577.1306 18989.1330 72630.9896 3263.2250 15402.4424 42092.9496 19449.9230 39998.6937 40768.2824 5086.2120 22452.0742 48288.3488 61601.7363 15842.5397 35546.3241 81164.1673 10366.5601 28160.7181 94805.8983 37316.6955 26335.8123 23997.7470 29383.6417 13577.8912 36136.8446 24289.6842 18669.4980 29516.9597 49684.6149 31585.8746 9132.1273 11626.7275 18266.6645 32848.7774 26186.2599 5568.6331 22028.2391 9895.8971
Val-Val-Asn-Trp-Asp 2992.8414 2789.1043 4572.3517 2782.0068 3529.4748 3155.6940 4116.0477 5333.7538 3238.6935 111.5277 3486.1554 125.0848 886.3735 971.5217 3372.1999 363.9410 4310.2715 2980.3270 2630.1770 3347.5329 2587.4417 1229.8806 3764.2525 15798.2447 2729.6935 7140.9441 602.4987 2536.6352 3250.5290 5670.9952 2596.6675 3442.2000 11191.8024 237.9683 1071.5927 752.7978 3016.6858 2765.3797 1256.7014 2161.9217 288.2567 2303.8374 2865.5792 230.3304 6242.0142 4189.0988 659.4260 3149.2566 3172.9169 566.9913 7075.9108
Valyl-Tyrosine 1530.1172 947.9145 1037.2615 2410.4589 875.2242 1747.2941 2095.3528 960.1326 1096.0178 810.2190 1541.1272 1367.2419 1417.6886 889.1131 2182.5347 1534.9053 1460.9746 1145.6048 967.7551 2242.1936 740.1531 1823.0742 1674.7792 1205.6970 1021.8073 236.6733 1837.7044 869.5700 1337.2520 559.4058 1674.0163 2100.4110 1029.6498 1596.3457 1673.0042 1040.3334 1087.1336 1290.7621 322.2600 835.5693 831.3535 2161.5926 1129.6090 1061.6291 1241.1096 1329.1052 1362.4117 1452.1409 932.7763 1042.4590 1085.9165
Vitamin K 4374.7339 5833.8238 6986.3339 5338.3885 6689.3866 6040.2623 5401.9184 5735.3126 6887.5763 6394.5108 4551.4644 5631.0655 6073.7677 6166.5200 6368.3926 5751.5336 5863.4112 6339.0146 5889.5881 5927.5003 5371.1968 7381.5686 5987.0460 6429.3438 7934.1795 6295.5340 6441.3014 5517.8972 6811.2836 6534.3292 5134.7228 7943.5552 6651.9308 7242.3333 7724.2505 5772.3681 6627.5653 6044.6376 7661.6933 5936.0337 6605.0889 6437.5396 6519.0638 6176.1843 6344.0205 6446.9817 6198.9710 6379.2456 5514.8117 7038.7766 7116.0584
Vorinostat 6161.3395 4682.7660 8547.9019 4409.0517 12478.0574 2679.7288 640.3466 5404.5356 1025.7486 2554.0524 233.7592 4626.2217 331.8326 13351.2428 298.5617 5353.5287 5570.5237 2826.9841 4101.4159 4403.6255 5321.3617 3963.1458 4006.2040 3424.9430 314.1595 4437.4401 1022.9404 7700.3124 6321.2861 7228.8349 7774.7517 629.9699 3650.6938 5312.0211 5594.3852 1887.8427 2643.6979 4623.0461 530.5783 260.7897 2785.8589 5850.5737 4472.4690 3694.1888 5000.0341 28212.7125 3579.3566 8618.7853 4649.2168 4054.6127 4816.5510
Xylometazoline hydrochloride 2144.6730 3340.5128 2301.4885 1100.8294 3036.5348 829.6747 105.4755 205.4571 20934.2579 548.1791 4749.3532 1645.8272 2796.0861 1862.0396 3216.7198 19739.2483 231.3793 4910.8134 2684.1979 2820.4209 3422.8470 345.8538 240.6519 3612.9848 5804.9054 4634.6573 2982.1920 1372.3223 289.9212 7119.4649 295.7904 1900.7855 848.2285 3538.3979 3649.1413 5413.5851 1422.9051 4468.6073 828.7617 2327.7649 18537.7833 268.0372 1696.2411 4084.6402 381.2082 2692.4567 2543.3135 3331.1552 4588.5739 405.4855 2741.8868
Yamogenin 3-O-neohesperidoside 770.9080 879.6510 1588.2575 1624.3042 777.5353 284.3865 406.2437 2264.0547 9275.9338 5889.3909 2877.2655 608.3158 2620.9029 2717.2356 1865.9227 1272.1503 745.0342 21413.1176 7938.0800 241.9510 1190.4682 376.3081 761.6720 161.9102 2645.1620 54939.0261 540.2439 11124.7702 804.7203 2126.8842 2198.6923 3364.5933 1894.0314 2316.2100 2656.4926 19623.0303 3552.0783 940.1295 658.2194 2718.1741 1202.4112 745.9121 1113.3131 3487.7788 396.9241 1166.2869 1069.0414 480.7681 6538.3715 978.8575 2276.0728
Zaleplon 1688.2227 1191.4553 309.4323 1271.1708 1000.9749 1551.8368 1787.2917 1844.3159 275.2276 791.0849 885.5538 1388.0433 2109.4760 1259.9868 2977.1329 1997.6305 359.9862 1304.3127 919.6591 1357.4783 175.8065 698.2845 1638.0751 1992.3802 4536.1800 913.4754 2429.9658 2028.0644 3343.8239 288.9550 3225.5438 5232.1836 954.0747 5678.8081 2666.0627 137.7308 898.5747 2180.9451 1621.6079 1990.3518 812.7512 935.6333 3239.6313 4099.1684 1973.7358 3007.9130 2566.3086 2603.4416 1015.2118 3093.7811 2776.5875
Zolpidem 2746.7618 3472.8027 835.4694 1990.1976 1219.9426 1254.1018 888.8735 1583.2080 1218.1663 2991.5237 2991.8771 239.7504 95.4437 1565.5928 488.1350 1663.3148 357.1662 704.1451 1149.6533 1124.6502 1426.7676 1688.2817 323.7543 2265.9040 2956.6711 7639.8085 1899.2720 4302.3436 2275.5608 721.6670 1673.4857 1699.5690 3135.5152 1434.5116 2985.1186 4793.5159 2143.7326 3026.4451 1615.5129 1915.8144 1208.0074 1306.9282 1026.3094 265.5435 111.5640 985.7306 2204.5910 1348.6474 726.3941 1619.1533 1236.5835
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant
10-Aminodecanoic acid 83150 1.7158
10-Hydroxymyoporone 40303 8.4208
10-Methylsulfonyldecanamide 154173 2.4967
1,1'-[1,12-Dodecanediylbis(oxy)]bisbenzene 11051218 7.6549
1,1,1-Trichloroethane 6278 13.6299
1,1,2-Trichloroethane 6574 1.9124
11beta,17beta-Dihydroxy-17-methylandrost-4-en-3-one 13970 9.6212
1,1-Dibutoxybutane 22210 2.3841
1,1-Dichloroethane 6365 1.657
11-HETE 1406 7.3323
1,1'-Methylenedinaphthalen-2-ol 14187 3.3771
1,22-Docosanediol 347359 6.0862
1,2,3,3,5-Pentamethyl-1,2,3,8-tetrahydro-7H-pyrrolo[3,2-g]quinolin-7-one 94023 7.7299
1-(2,3-Dihydro-6,7-dimethyl-1H-pyrrolizin-5-yl)-2-hydroxy-1-propanone 86127015 3.2442
1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one 81431 0.914
1,2,5-Trimethyl-1H-pyrrole 70260 2.3868
12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one 243750 4.6072
1,2-Bis(chloromethoxy)ethane 61632 0.9174
1,2-Di-(9Z-tetradecenoyl)-sn-glycero-3-phosphocholine 24778648 3.9123
1,2-Diaminocyclohexane 4610 1.0591
1,2-Dichloroethane 11 13.1563
1,2-Dihydro-1,1,6-trimethylnaphthalene 121677 1.1215
1,2-Dilauroyl-sn-glycero-3-phospho-sn-glycerol 11845868 7.5308
12-Hydroxyoctadecanoic acid 7789 9.8495
13,14-Dihydro-15-ketotetranorprostaglandin F1alpha 168168 6.2596
13,16,19-Docosatrienoic acid 5312556 10.5392
13'-Carboxy-alpha-tocopherol 53481461 9.2517
13-Deoxytedanolide 23426994 4.7393
1,3-Diaminopropane 428 0.8878
1,3-Diazaspiro[4.6]undecane-2,4-dione 229298 2.8563
1,3-Diisopropylbenzene 7450 3.0128
1,3-Dipropyl-8-cyclopentylxanthine 1329 4.2138
13-Heptadecyn-1-ol 557439 0.8347
13-Hydroxy-9Z,11E-octadecadienoic acid 5282947 10.9546
13Z-Docosenamide 5365371 11.5772
(+/-)14,15-EpETrE 5283205 8.8858
1-((4-amino-2-propylpyrimidin-5-yl)methyl)-2-methylpyridinium 2.2807
1,4-Naphthoquinone 8530 4.6072
15-Keto-Prostaglandin F2a 5280887 4.4155
15(S)-latanoprost 3890 9.5174
1,6-Dioxacyclohexadecane-7,16-dione 94013 1.7909
17beta-Estradiol 5757 6.9221
17-Oxodexamethasone 242348 6.2066
18beta-Glycyrrhetinic acid 18526330 9.729
19(R)-hydroxy PGF2 5283047 4.4568
1-Acetylpiperidine 12058 2.2813
1-Aminocyclohexanecarboxylic acid 1366 0.8231
1-aminopentadecane 17386 6.3017
(1As,7R,7aS,7bR)-7,7a-dimethyl-1-methylidene-2,6,7,7b-tetrahydro-1aH-cyclopropa[a]naphthalene 12087735 2.2872
1-(beta-D-Glucopyranosyloxy)-3-octanone 129885032 2.8843
1-Ethynylcyclododecanol 2828296 2.3975
1-Ethynylcyclohexanamine 121691 4.4822
1-Heptanol 8129 4.3577
1-Hexadecyl-1H-indole-2,3-dione 3772674 9.8496
1-Hexanethiol 8106 8.3396
1H-Indazole-3-carboxamide,N-[1-(aminocarbonyl)-2-methylpropyl]-1-(4-hydroxypentyl)- 118973259 3.7395
1H-Indazole-3-carboxamide,N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-1-(5-chloropentyl)- 91936938 3.1405
1H-Indole-3-carboxamide,1-(5-fluoropentyl)-N-(phenylmethyl)- 91936847 4.4484
1-Methoxyphenanthrene 43547 1.902
1-Methyl-3-[(E)-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]thiourea 6509863 1.8139
1-Methylphenanthrene 13257 2.3563
1-Monolinolenin 5367328 9.4507
1-Octadecanol 8221 7.6551
1-Octadecyl lysophosphatidic acid 12051354 11.5528
1-Octen-3-OL 18827 1.0088
1-(Octylsulfinyl)ethylene 303431 4.9126
1-O-Hexadecyl-2-O-methyl-sn-glyceryl-3-phosphorylcholine 127599 3.6275
1-Oleoyl-2-acetyl-sn-glycerol 6437055 10.7691
1-Oleoyl-sn-glycero-3-phosphocholine 16081932 9.073
1-Palmitoyl-sn-glycero-3-phosphocholine 460602 8.7778
1-Phenyl-4-[4-(1H-pyrazol-1-yl)benzyl]piperazine 25333445 6.925
1-piperidin-2-ylpropan-1-ol 10314 2.3964
1-Pyrrolidinecarboxylic acid,3-amino-4-fluoro-,1,1-dimethylethyl ester,(3R,4S)-rel- 45489886 4.1227
[(1R,2R,5R,9S,17S)-6-Oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl] acetate 10662446 5.5192
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbaldehyde 99615 10.2027
[(1R,3S,3Ar,4S,8S,8aS)-3-acetyloxy-1-hydroxy-3a,6-dimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-1-propan-2-yl-2,3,4,7,8,8a-hexahydroazulen-4-yl] benzoate 11518931 3.3356
(1R,4S,4As,5S,6S,8aR)-4-(hydroxymethyl)-8a-methyl-6-propan-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalene-1,4,5-triol 15378285 1.0043
(1R,8R)-3,3-dimethyl-10,13-dioxo-11-oxatricyclo[6.5.0.01,5]tridec-6-ene-7-carboxylate 90657240 2.7484
[(1S,2S,3S,10S,13S,15R)-2-Hydroxy-15-methyl-11-oxo-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-3-yl] acetate 11141780 2.2065
(1S,2S,3S)-1-(5-Methylpyrazin-2-yl)butane-1,2,3,4-tetrol 124355646 1.1671
[(1S,2S,3S,5S,8S,10S,14S)-2,5,10-Triacetyloxy-8,12,15,15-tetramethyl-4-methylidene-14-tricyclo[9.3.1.03,8]pentadec-11-enyl] (2S)-2-methylbutanoate 11049885 7.7561
(1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol 110677 6.2219
[(1S,3R,5R,7Ar)-7-(hydroxymethyl)-3,5-dimethoxy-1-(3-methylbutanoyloxy)-1,3,5,7a-tetrahydrocyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate 10982824 1.2885
[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]-[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]azanium 72199331 4.1251
(1S,4S,4Ar,8aS)-6-[[(4aS,9S,10aS)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl]methyl]-1-methyl-4-propan-2-yl-2,3,4,4a,7,8-hexahydronaphthalene-1,8a-diol 11584453 11.2205
2-(1',2',3',4'-Tetrahydroxybutyl)quinoxaline 260008 2.6096
2,1,3-Benzothiadiazole-4-carbaldehyde 2776283 12.0929
21-Hydroxyprogesterone 6166 4.3734
2-(1-Piperazinyl)acetamide 3409342 1.485
2-(1-Piperidinyl)-1H-benzimidazole 270291 1.2566
2,2',2''-(1,3,5-Triazinane-1,3,5-triyl)tris(ethan-1-ol) 104556 3.9884
2,2'-(2-Hydroxyethylazanediyl)diacetic acid 7152 4.5966
2,2',3,4,4',5',6-Heptabromodiphenyl ether 15509899 4.3814
2,2,5,7,8-Pentamethyl-6-hydroxychroman 99479 10.3481
2-[[2-azaniumyl-3-(4-hydroxy-1-oxononan-3-yl)sulfanylpropanoyl]amino]acetate 90659346 3.934
2,2-Dichloroacetaldehyde 6576 13.8376
2-(2-Methylaminoethyl)pyridine 2366 2.3815
(2-{[3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]oxy}ethyl)trimethylazanium 131839396 2.6107
(2,3,4,5-tetrahydroxy-6-oxo-7-phosphonatooxyheptyl) phosphate 25244771 0.7049
2,3,4-Pentanetrione,3-[(4-nitrophenyl)hydrazone] 1.9587
2,3',5-Trichlorobiphenyl 38033 12.1676
2,3-Butanediol glucoside 78171387 2.3058
2,3-Dihydrobenzofuran 10329 1.8151
2-[3-[(E)-6-Acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,4,6,9,9a-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid 45359752 4.7291
2,4,5-tris(hydroxymethyl)pyridin-3-ol 101491 1.1504
2,4,6-Tris(4-morpholinylmethyl)phenol 230550 8.5028
2,4-Dimethyl-6-(1-phenylethyl)phenol 22561326 1.3733
2,4-Di-tert-butylphenol 7311 1.2667
2-(4-Methyl-1-piperazinyl)aniline 286547 1.3748
2-(4-Methylbicyclo[2.2.2]oct-1-yl)-1-phenylethanone 5238842 2.5684
2-(4-Morpholinyl)ethyl 2,4-dihydroxybenzoate 824673 2.7706
2,4-Quinazolinediamine,N2,N4-bis(phenylmethyl)- 676352 2.8542
2-(4-tert-Butylphenoxy)ethanamine 2560686 1.6081
2,5-Dimethylfuran 12266 1.1385
2,5-Hexanedione 8035 2.4148
2,6-Diisopropylnaphthalene 32241 5.5871
27-Deoxy-5alpha-cyprinol 140 9.8246
(2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one 13991214 11.0834
2-Amino-2-deoxymannose 123961 1.8151
2-Amino-2-methyl-1,3-propanediol 1531 2.4718
2-amino-3,7-dihydropurin-6-one 764 1.4911
2-amino-6-methylsulfanylhexanoic acid 228215 1.2597
2-Amino-8H-indeno[1,2-d][1,3]thiazol-8-one 3851227 0.8969
2-Amino-9,10-epoxy-8-oxodecanoic acid 443587 2.619
2-Aminoethanesulfinic Acid 107812 1.4004
2-aminooctadecane-1,3-diol 3126 7.8073
2-aminoprop-2-enoate 22022579 2.0321
2-(Benzothiazol-2-ylsulfanyl)cyclohexanone 264054 1.8151
2-[bis(carboxylatomethyl)amino]acetate 3081459 5.347
2-Butyl-4,5-diethyloxazole 525778 1.1429
2-Chloro-cis,cis-muconate 5280605 0.9189
2-Cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid 25022668 1.9481
2'-Deoxyadenosine 13730 1.802
2-(Dimethylamino)benzaldehyde 34289 1.0267
(2E)-3-Phenyl-1-(piperidin-1-yl)prop-2-en-1-one 764160 3.3274
2-ethyl-2-phenylmalonamide 23611 1.1219
2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone 33931 1.8489
2H-1-Benzopyran-6-ol,2-((4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl)methyl)-3,4-dihydro-2,5,7,8-tetramethyl-,dihydrochloride,(2R)- 9808654 10.7386
2-Heptylbenzothiazole 57240436 2.9279
2-Heptylfuran 19603 1.8649
2-Hydroxy-2-methyl-3-oxobutanoic acid 22 1.7269
2-Hydroxy-4,6-dimethylpyrimidine 9508 1.3329
2-Isopropoxyphenyl N-methylcarbamate 4944 5.3297
2-Isopropyl-3-methoxypyrazine 33166 0.9926
2-Methoxy-6-nitrobenzonitrile 38048 1.9632
2-Methoxyestradiol 66414 2.3455
2-Methyl-3-(methyldithio)furan 47649 1.2501
2-Methylamino-1-(3,4-methylenedioxyphenyl)butan-1-one 56843046 1.5497
2-(Methylamino)-1-(morpholin-4-yl)ethan-1-one 2517683 2.3223
2-(methylazaniumyl)ethyl phosphate 25201132 2.1258
2-Methylcyclohexanone 11419 3.0379
2-Methylthiolan-3-ol 19957309 2.1034
2-Naphthalenecarboxamide,N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-8-yl)ethyl]- 25105715 3.2357
2-N-Undecyltetrahydrothiophene 134998 4.6484
2-oxo-6-(2-oxoheptyl)pyran-4-olate 44237388 1.7287
2-Pentyl-9,10-dihydroanthracene-9,10-dione 26343 7.9691
2-(Pentylamino)acetamide 53569 3.4354
2-Phenylcyclopentan-1-amine 21786 1.6325
2-Phenylethanol 6054 2.322
2-Phenyl-N-(5-propan-2-yl-2-thiazolyl)acetamide 16760027 4.3616
2-Phenyl-N-(pyridin-4-yl)cyclopropanecarboxamide 2933570 12.1678
2-Phenylpropylamine 11398 3.08
2-Phosphonoethylphosphonic acid 80247 12.1761
(2R)-2-amino-8-methylsulfanyloctanoic acid 44237249 2.023
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate 6931438 0.8092
[(2R,3R,4S,5R,6R)-3-acetyloxy-2-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-(3-methylbutanoyloxy)oxolan-2-yl]oxy-6-(hydroxymethyl)-5-(3-methylbutanoyloxy)oxan-4-yl] 2-methylbutanoate 91669255 10.9795
(2R,3R,4S,5S,6R)-2-[(3R)-3-Hydroxydeca-4,6,8-triynoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 10892676 3.2443
[(2R,3R,4S,6R)-2-[[(4R,5S,6S,7S,9R,11E,13E,15S,16R)-7,16-diethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-dimethylazanium 91820304 10.1736
(2R,3S)-4-Methylidene-5-oxo-2-tridecyloxolane-3-carboxylic acid 65078 8.5825
(2S)-2-[[(2S)-2-azaniumyl-2-(4-hydroxyphenyl)acetyl]amino]-5-(diaminomethylideneazaniumyl)pentanoate 122706601 3.9809
(2S)-2-(aminomethylideneazaniumyl)pentanedioate 25246274 1.7271
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azoniahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol 25244805 10.0905
(2S,4S)-4-Cyclohexylpyrrolidine-2-carboxylic acid 29921362 2.2725
(2S,6R)-6-[(3R,5S,7R,10S,13R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoate 25203107 9.916
2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate 24883454 2.4554
2-Trifluoroacetylpyrrole 137637 3.084
2-Vinyl-4H-1,3-dithiine 133337 2.4083
3-(1H-Benzimidazol-2-yl)-4-chloroaniline 278831 12.151
3-(1H-Indol-3-ylmethyl)-6,18-dimethyl-9-(2-methylpropyl)-12-(1-phenylethyl)-15-propan-2-yl-1,4,7,10,13,16,19-heptazacyclotricosane-2,5,8,11,14,17,20-heptone 45782868 4.5164
3-[[2-(3-Hexylanilino)-2-oxoethyl]amino]propanoic acid 24905345 5.5194
3-[2-[4-(3,4-Dimethylphenyl)piperazino]ethyl]isoindolin-1-one 9819770 4.6573
3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one 247749 4.4902
3-(2-Cyclohexylethyl)-4-ethyl-1H-1,2,4-triazole-5-thione 4987426 2.388
3-(3-Hydroxypropyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one 1900679 1.901
34:6(16Z,19Z,22Z,25Z,28Z,31Z) 52921817 11.2537
3,4-dihydro-2H-pyrrol-1-ium 11966285 2.3556
3,4-Dihydrocadalene 528708 0.9727
3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid 709 3.4839
3-[4-(sulfooxy)phenyl]prop-2-enoic acid 6070438 0.9095
3,4-Thiophenedicarbonitrile 140435 1.2585
3,5-Dimethyl-4-propyl-1H-pyrazole 12933275 2.8052
3,8'-Biflaviolin 25164057 12.101
3alpha,12alpha-Dihydroxy-5beta-chol-6-enoate 443323 7.6541
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoate 122312 8.4952
3-Aza-A-homocholest-4a-en-4-one 247297 5.8371
(3b,4b,11b,14b)-11-Ethoxy-3,4-epoxy-14-hydroxy-12-cyathen-15-al 14-xyloside 85072490 3.5191
(3beta,17alpha,23S)-17,23-Epoxy-3,28,29-trihydroxy-27-norlanost-8-en-24-one 73816066 9.3926
(3beta,5alpha,6beta,9alpha,22E,24R)-23-Methylergosta-7,22-diene-3,5,6,9-tetrol 131751468 10.2151
3beta,5alpha,6beta-Trihydroxycholestane 91498 10.7469
(3beta,9xi,22S,23R)-3-Hydroxy-17,23-epoxyveratraman-11-one 6.9061
3-Bromo[1,1'-biphenyl]-4-ol 27297 0.9973
3-Chloro-1H-pyrazol-4-amine 114020 1.8982
3-Chloro-4-(4-methyl-1-piperazinyl)aniline 820343 3.0365
3'-(Cyclohexylamino)-4'-methoxyacetanilide 122427 4.3249
3-(Decyloxy)tetrahydrothiophene 1,1-dioxide 86787 2.0753
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate 251872 10.2447
3-Henicosyl-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione 5318481 10.3398
3-Hexen-1-ol,(Z)- 5281167 4.2911
3-Hydroxy-2-butanone 179 2.3887
3-hydroxy-2-(hydroxymethyl)-2-[(sulfooxy)methyl]propanoic acid 131833992 1.7271
3-(hydroxyamino)propylazanium 25201617 0.9644
3-Hydroxybenzoic acid 7420 1.3084
3-HYDROXYDEOXODIHYDRODEOXYGEDUNIN 4.4288
3-Hydroxydodecanoic acid 94216 3.2692
3-hydroxy-tetradecanoic acid 16064 4.415
3-Mercaptopropanoic acid 6514 0.9926
3-Mercaptopyruvic Acid 98 12.5996
(3-Methyl-2-butenyl)-benzene 20572 3.5589
3-Methyl-3H-imidazo[4,5-f]quinoxalin-2-amine 105041 1.3166
3-Methyladenine 135398661 1.8153
3-Methyloxindole 150923 4.0782
3-Methylphosphinicopropionic acid 84788 1.1821
3-(Methylthio)propionic acid 563 2.9733
3-Methylxanthine 70639 1.2563
3'-N'-Acetylfusarochromanone 102571616 4.6815
(3R,4S,6S,9Z)-4-Bromo-9-(bromomethylidene)-5,5-dimethyl-1-methylidenespiro[5.5]undec-10-en-3-ol 23425337 12.1676
(3R,7R)-1,3,7-Octanetriol 85279741 4.363
[(3S,4R,4Ar,5S,7R,8S,8aR)-8-[(2S,3aS,5R,6aR)-5-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-2-yl]-3,5-diacetyloxy-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate 15119571 3.1429
(3S,4S,10S,13R)-3-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylate 25200717 4.6219
(3S,4S,10S,13R)-3-hydroxy-4,10,13-trimethyl-17-(6-methylheptan-2-yl)-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-4-carboxylate 25202943 7.793
4-(2-Aminophenyl)-2,4-dioxobutanoic acid 472 2.9529
4-(2-Bromo-5-(trifluoromethoxy)phenyl)-2-methylbut-3-yn-2-ol 46739815 0.8966
4-(2-Oxo-1,2,3,4-tetrahydroquinolin-6-yl)oxycilostazol 131668291 10.9329
4-(3,3-Difluoroazetidin-1-yl)piperidine 59605680 2.7374
4-(3,4-Dichlorophenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidine 7018677 12.1178
4-(3,4-Xylyl)-3-thiosemicarbazide 773786 0.9472
4-{[(3-Chloro-4-fluorophenyl)sulfonyl]amino}benzoic acid 697821 0.9408
4-[4-(2-azaniumyl-2-carboxylatoethyl)-2H-imidazol-2-yl]-2-(trimethylazaniumyl)butanoate 25201042 2.4798
4,4'-Diapophytoene 14019219 10.805
4-(4-Fluoroanilino)-2H-chromen-2-one 2732808 2.3137
4,4'-Methylenebis(2,6-di-tert-butylphenol) 8372 7.1476
4,4'-Thiobis-2-butanone 61989 2.3564
(4-((5,6-Diphenylpyrazin-2-yl)(isopropyl)amino)butoxy)acetic acid 9931891 4.6381
4,5-Dichloro-2-ethyl-1H-imidazole 312391 12.1261
4,5-Dihydro-2-methylthiazole 16867 13.5552
4,6-Di(1-piperidinyl)-1,3,5-triazin-2-amine 204417 0.8116
4,6-Dihydroxyquinoline 440738 2.9529
4,6-Dimethyl-1,3,5-triazin-2-ylamine 15820 1.5534
4-Acetamidobutanal 440850 1.9065
4-acetamidobutylazanium 25243990 1.6081
(4-amino-4-oxobutyl)-(diaminomethylidene)azanium 25243936 2.0594
4-(Aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol 1052 2.7623
4-aminomethylpyrimidine 12933348 4.4902
4-amino-MX 184815 1.8174
4-Amino-N-(3-methyl-2-butenoyl)benzenesulfonamide 8281 1.8153
4-Aminophenol 403 2.3234
4-Aminopyridine 1727 1.4994
(4Ar,6aR,6bS,14aR,14bS)-4,4,6a,6b,11,11,14b-heptamethyl-2,4a,5,6,7,8,12,14a-octahydro-1H-picene-3,10-dione 102588576 7.3984
(4Ar,6aS,6bR,8aR,12aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a-decahydro-1H-picen-3-one 21594103 9.8412
(4As,6aR,6aS,6bR,8aR,12aS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12-decahydro-1H-picene-4a-carboxylic acid 636573 3.6181
4-(Benzylsulfanyl)-3-pyridinesulfonamide 901953 0.9041
4-Bromo-2-formylbenzonitrile 22030145 1.0015
4-Chloro-2-methyl-5-(4-morpholinyl)-3(2H)-pyridazinone 120991 1.1906
4-Chloro-6-methyl-2-(methylthio)pyrimidine 241163 4.6075
(4-ethyl-2,6-dihydroxyphenyl)oxidanesulfonic acid 131834405 4.6143
4-Guanidinobutanamide 123 1.9798
4H-1-Benzopyran-2-carboxylic acid,5,7-dihydroxy-4-oxo- 11622673 0.9848
4-Hydroxy-4-(3-pyridyl)-butanoic acid 438 4.4486
4'-hydroxymephenytoin 119507 3.9004
4-methyl-5-thiazole ethanol 1136 2.4777
4-Methylpentanal 129 4.3659
4-n-Heptylphenol 16143 6.6206
4-Oxododecanedioic acid 13213508 3.5272
4-Propylphenol 12580 7.7292
4-Pyridinecarboximidamide 409094 1.0149
(4R)-3,5,5-Trimethyl-4-[(E,3R)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one 9820702 4.064
(4R,5S)-4-Hydroxy-5-[(1S,2R,3R)-1,2,3-trihydroxy-3-phenylpropyl]oxolan-2-one 639643 3.4515
[(4S,4As,7S,7aS)-2,2,4-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-ium-7-yl]methyl benzoate 10380207 0.8357
4-Trimethylammoniobutanoate 134 2.3558
5-(1,3-Benzodioxol-5-ylmethylene)-1,3-thiazolidine-2,4-dione 233033 1.7481
5-[(2S)-1-methylpyrrolidin-1-ium-2-yl]-1H-pyridin-2-one 6955053 2.0977
5-(3-Phenylpropyl)-1H-1,2,3,4-tetrazole 223458 2.261
5,5-Diethyl-1,3-oxazinane-2,4-dione 12798 1.716
5,7-Dimethoxycoumarin 2775 3.4021
5,8,11,14-Eicosatetraynoic acid 1780 3.774
5-Acetylamino-6-amino-3-methyluracil 88299 2.2462
5-amino-2,5-dioxopentanoate 152239 1.2511
5-Bromo-8-quinolinol 70974 0.763
5-Chloro-2-(4-propionyl-1-piperazinyl)aniline 934880 2.6712
5-Chloro-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide 4563101 4.2661
5'-Deoxy-5'-(Methylthio) Adenosine 2.8121
5-Dodecyldihydro-2(3H)-furanone 97747 2.1142
5-HETrE 1768 9.8653
5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one 161271 1.9626
5-Hydroxyfluvastatin 124518231 2.6732
5-Hydroxyindole-3-acetic acid 1826 3.5271
5-Hydroxy-L-Tryptophan 144 1.2468
5-Methoxydiisopropyltryptamine 151182 6.8671
5-Methyl-1,3-benzoxazol-2-amine 46388 3.0853
5-Nonadecyl-1,3-benzenediol 161858 10.7714
5-Norbornene-2,3-dicarboximide,N-(2-ethylhexyl)- 8227 2.8167
5-O-beta-D-Mycaminosyltylonolide 6437420 4.9957
(5-Phenyl-1,2,4-triazol-3-yl)urea 222304 0.8513
(6Ar,6aS,6bR,8aR,10R,12aS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,5,6,6a,7,8,8a,10,11,12-decahydropicen-3-one 102588575 6.6277
6-Chloro-N4,N4-dimethyl-2,4-pyrimidinediamine 251735 5.3463
6-Geranylgeranyl 8'-methyl 6,8'-diapocarotene-6,8'-dioate 15491080 10.132
6-hydroxyhexanoic acid 14490 2.7161
6-Methyl-2,3,4,9-tetrahydro-1H-carbazole 266109 2.2468
6-Uracilacetic acid 73271 7.4237
7,8-Diaminononanoic acid 652 1.0451
7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione 6759 3.1627
7alpha-hydroxy-3-oxochol-4-en-24-oic Acid 193493 7.7899
7-Dehydrodesmosterol 440558 5.7359
(7E)-11,12-Dihydroxy-13-methoxy-4,5,8-trimethyl-3-(2-methylpropyl)-3,3a,4,6a,9,10,11,12,13,14-decahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione 23846520 4.3403
7H-Purine-7-acetamide,1,2,3,6-tetrahydro-1,3-dimethyl-N-[4-(1-methylethyl)phenyl]-2,6-dioxo- 1150897 4.0213
7-Hydroxy-6-methyl-8-ribityl lumazine 440869 2.7843
7-Hydroxywarfarin 5.1476
7-Mercaptoheptanoylthreonine 24892802 2.4134
7-Methylguanine 135398679 1.2568
7-Methylxanthine 68374 1.2003
8,10-Dihydroxy-3-longipinen-5-one,diangeloyl 23928004 3.2442
8-(3-Octyl-2-oxiranyl)octanoic acid 15868 10.0889
8-Amino-7-oxononanoic acid 173 3.3605
8-Azaguanine 135403646 1.4906
8-Benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione 98811 2.817
(8E,15E)-1,8,15-Heptadecatriene-11,13-diyne 131751122 3.2108
9,10,13-TriHOME 5282965 5.8799
9,10-Dihydroxystearate 89377 8.1443
9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one 639 1.4422
9H-Thioxanthene-3,6-diamine 10,10-dioxide 82456 1.2475
9-Oxo-11alpha,16R-dihydroxy-17-cyclobutyl-5Z,13E-dien-1-oic acid 71684381 9.4507
9-Riburonosylhypoxanthine 135438607 3.0377
(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid 5281117 4.9186
Abametapir 15664 3.0783
Acebutolol 1978 5.6083
Acetaldehyde butyl phenethyl acetal 62876 8.6416
acetamidomethyl-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]oxyphosphinate 122706193 12.1344
Acetaminophen 1983 0.9506
Acetanilide 904 4.0826
Acetohexamide 1989 4.0431
Acetone cyanohydrin 6406 12.1427
Acetylcholine 187 1.2385
Acetyldigitoxin 5284512 4.0272
Acetylleucine 1995 2.5297
Acetylpodocarpic acid anhydride 9830426 4.3142
Acrylonitrile 7855 0.9532
Adenine 190 1.716
Adenosine 60961 1.7148
Ajmaline 15559810 4.2995
Ala-Ala 5484352 1.7154
Ala-Arg-Asp-Pro-Val 7.7241
Ala-Gln-Phe-Ile-Met 3.5843
Ala-His-Ile 4.4446
Ala-Ile-Gln-Arg-Thr 4.5905
Alangicine 442158 3.3855
Ala-Val-Asp-Asp 2.1559
Allantoic Acid 203 0.6946
(all-E)-6'-Apo-y-caroten-6'-al 20055192 10.7468
Allocryptopine 98570 4.9369
all-trans-Carophyll yellow 131751340 8.3548
alpha-Asarone 636822 2.3551
alpha-Eucaine 5282357 3.1616
alpha-hexylcinnamaldehyde 7585 2.3872
alpha-Linolenoyl ethanolamide 5283449 9.2846
alpha-Methyl-m-tyrosine 2110 4.5989
Amicarbazone 153920 2.2638
Amprolio 73341 4.5148
Anabasamine 161313 1.5075
Anacardic acid 167551 9.7166
Anastrozole 2187 2.6792
Androstadienone 92979 2.4457
Androstane-3,17-diol dipropionate 134572 9.3511
Androstane-3,6,17-triol 170796 10.589
Androstenedione 6128 1.8874
Antanapeptin A 15546250 3.87
Anthranoyllycoctonine 441708 3.5826
Arachidene trifluoromethane 5280436 3.9123
Arachidonoyl Ethanolamide-d4 24762159 10.6139
Arachidonoylglycine 5283389 5.7034
Arachidonoyl PAF C-16 6443139 8.2954
Arecoline 2230 3.3605
Arg-Asp-Leu-Tyr-Ser 3.6856
Arg-Gln-Arg 18218711 3.3854
Arg-Glu-Ala-Phe-Arg 4.3065
Arg-Glu-Arg-Val-Tyr 4.3818
Arginine 232 2.2349
Arginyl-Alanine 7020333 1.1323
Arg-Leu-Leu-Asn-Asn 4.2803
Arg-Lys-Asp-Lys-Glu 3.7839
Arg-Lys-Gly-Ile-Asn 4.1671
Arg-Lys-His-Arg 4.7389
Arg-Lys-Leu 8.2932
Arg-Met-Met 7.7294
Arg-Phe-Phe 4.3615
Arg-Phe-Val-Asp 11.2288
Arg-Thr-Ala-Arg 3.5172
Arg-Thr-Arg 8.296
Arg-Thr-Leu-Ser-Asp 5.2959
Arg-Thr-Lys-Arg 10.7303
Arg-Trp-Ile 7.7308
Arg-Tyr-Gln-Lys 4.7071
Armillarin 134206 7.3491
Arotinoid acid 5289501 4.3818
Artocommunol CB 639645 10.265
Asn-Asn-Phe-Ser-Lys 11.2288
Asn-Gln-Lys 18219097 5.5144
Asp-Ile-Lys 18219544 1.1562
Asp-Phe-Gln-Arg 3.4684
Asp-Thr-Lys 18219676 6.1353
Asp-Val-Val 5.9882
Auramine 10298 1.8217
Avenestergenin A2 73816173 4.7814
Avermectin A1a monosaccharide 11953992 4.4567
Bambuterol HCl 54765 1.4987
Barbital 2294 3.0379
Benproperine 2326 2.0902
Benzaldehyde 240 1.8151
Benzamide 2331 1.9647
Benzyl-dimethyl-[2-[2-(2-methyl-4-octylphenoxy)ethoxy]ethyl]azanium 91873688 9.2513
Benzyldimethylphenylammonium 76669 1.1397
Benzyl methyl sulfide 13016 2.2309
beta-Alanyl-L-lysine 440638 1.4412
Beta-Amyrone 12306160 10.174
beta-Estradiol 17-propionate 19571 2.8015
Betaine Aldehyde 249 2.0727
beta-Muricholic acid 5283853 7.6535
Betonicine 164642 2.0309
Bifenazate 176879 6.2224
Bis(2-ethylhexyl) phthalate 8343 7.6543
bis(3-azaniumylpropyl)azanium 6991998 1.7902
Biuret 7913 1.3172
Brassicasterol 6432458 11.5445
Bufexamac 2466 1.2911
Buformin 2468 2.8339
Butacaine 2480 3.1951
Butoctamide hydrogen succinate 2486 3.4434
Butopyronoxyl 10760 12.0596
Butralin 36565 2.9796
Butyl undecylenate 61027 3.1026
Caffeine 2519 2.9914
Caldine 5942 1.115
Calenduloside G methyl ester 131753011 4.5486
Callystatin A 5471086 9.7582
Camphoric acid 21491 4.2821
Canthiumine 5281584 11.2288
Capric acid methyl ester 8050 7.9328
Caprolactam 7768 1.3402
Carbadox 135511839 4.078
Carbamate 276 0.9926
Carbenoxolone 636403 4.7082
Carbobenzyloxyglycyl-L-norleucine methyl ester 4.3901
Carbobenzyloxy-L-norvalyl-L-norleucine 91746289 4.9317
Carnitine C13:0 7.1097
Carnitine C16:0 8.7362
Carnitine C18:1 8.9855
Carnitine C19:2 8.3616
Carnitine C9:1 4.6443
Carnosine 439224 0.8966
Caryophyllene oxide 1742210 10.1985
C-Curarine 5281386 7.1487
Cetylpyridinium 2683 7.8887
Chamazulene 10719 1.1315
Chenodeoxycholic acid sulfate 21252308 3.3855
Chinomethionat 17109 4.4158
Chloramine 0.9335
Chlorimuron 91762 0.8901
Chlormadinone acetate 9324 3.9349
Chlorohydroquinone 301 13.8958
Chlorophyll a 12085802 8.2881
Chloroquine 2719 5.6087
Choline 305 0.8136
Chrysanthemic acid 2743 3.0379
Ciclopirox 2749 1.1955
CID 476785 476785 2.1392
Cinnamic acid 444539 1.8152
cis-8,11,14-Eicosatrienoic acid 5280581 9.4507
Cis/trans-(S)-(-)-limonene oxide 91496 2.5016
Citranaxanthin 6436724 11.2869
CMPentylF 194501 3.8838
Cocamidopropyl betaine 20280 6.5814
Concanamycin A 6438151 7.6533
Conivaptan 151171 9.7421
Convoline 443002 3.9673
Coproporphyrin III 6.9408
Corticosterone 21-acetate 255846 5.1217
Creatine monohydrate 80116 2.3541
Creatinol 83440 1.1144
Cyclandelate 2893 8.1198
Cyclobenzaprine 2895 2.8831
Cyclohexylamine 7965 0.9626
(Cyclohexylmethyl)hydrazine 71824 1.1829
Cyclopassifloic acid C 73800246 10.2151
Cyclopentanethiol 15510 2.4304
Cyclotricuspidogenin C 73801615 9.2596
Danofloxacin 71335 2.8775
d[-Arg-2]KYOTORPHAN 4.1231
Dazomet 10788 1.5498
delta-Hexalactone 13204 1.1821
delta-Valerolactam 1.9657
Deoxycholic acid 222528 8.2954
Deoxycorticosterone acetate 5952 2.724
Desmetryn 13904 2.1774
Desogestrel 40973 8.1177
Desthiobiotin 643 1.15
Deterrol stearate 57473060 11.262
Deuteroporphyrin IX 9.7249
DG(14:1(9Z)/14:1(9Z)/0:0) 53477973 10.6887
D-Gulonic acid gamma-lactone 165105 1.2003
D-Homocysteine 134603 2.4604
Dibutyl phthalate 3026 9.5753
Dibutyl sulfide 11002 2.4436
Diethyl 2-(formylamino)malonate 80617 1.4577
Diethylenetriamine 8111 3.0046
Diethyl hydrogen phosphate 654 2.4304
Diethyl trisulfide 77151 0.9977
Dihydrocapsaicin 107982 4.2576
Dihydro-D-sphingosine 7.232
Dihydro Isorescinnamine 232430 10.9795
Diisodecyl phthalate 33599 11.3375
Diisononyl phthalate 590836 10.3481
Diisooctyl phthalate 33934 8.3432
Dimepranol 135398641 1.2986
Di-n-octyl phthalate 8346 7.2313
Dinotefuran 197701 1.965
Dipropyl pyridine-2,5-dicarboxylate 8693 3.1861
Disulfoton sulfone 17241 12.1178
Diterpenoid EF-D 198036 6.6507
DL-Methionine 876 0.9131
DL-O-tyrosine 91482 1.8152
Docosahexaenoic Acid ethyl ester 150680 8.2954
dodecanoate 4149208 0.9432
Dolichotheline 168082 2.2222
D-Ornithine 71082 1.2523
Dropropizine 3169 4.4884
D-urobilinogen 440784 7.1749
(E)-12-oxododec-10-enoate 15388629 1.7785
(E)-Calamene 10224 1.068
Ecdysone 19212 4.2216
Eicosanoyl-EA 3787294 8.4979
Enoxolone 10114 10.3439
Enrofloxacin 71188 1.6242
ent-15-Oxo-16-kauren-19-oic acid 3232 4.4398
Epinephrine 838 2.9534
Eseridine 65719 2.9368
Ethanone,1-[4-[[4'-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl) ethyl][1,1'-biphenyl]-4-yl]methyl]-1-piperazinyl]- 71470549 4.1166
Ethisterone 5284557 5.3299
Ethopabate 6034 4.0022
Ethosuximide 3291 2.3169
Ethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate 334460 1.9608
Ethyl 3-(N-butylacetamido)propionate 104150 1.9148
Ethyl 4-hydroxy-5,8-dimethoxy-3-quinolinecarboxylate 224415 1.9718
Ethyl cellulose 24832091 3.186
Evocarpine 5317303 3.2199
Famprofazone 3326 10.3813
Fasoracetam 198695 2.7152
Ferulic acid dilactone 3703882 0.7115
Firefly luciferin 92934 4.4238
Flubenzimin 91625 0.8967
Fluoroacetate 5237 0.9137
Fluvoxamine Acid 46781630 3.566
Formamide 713 1.4994
Fortimicin KK1 46174017 5.3296
Fosfomycin 446987 0.8146
Fulvestrant 104741 4.1213
Fulvine 442726 4.0258
Funebrine 442636 4.5734
Furaltadone 9553856 0.8469
Furan-2,5-dicarbaldehyde 69980 13.5551
Furfuryl octanoate 61985 2.1335
Gabapentin 3446 4.2327
gamma-Glutamyl-beta-aminopropiononitrile 440920 5.3326
gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide 18410556 5.1475
Ganoderiol I 15602271 11.5528
Ganoderol A 13934284 8.3621
Geissospermine 5281401 4.2575
Gentamicin C2 72397 9.317
Gingerglycolipid A 10349562 4.3406
Gingerglycolipid B 10009754 3.9137
Gln-Glu-Ile-Arg 7.4999
Gln-His-Thr-Leu-Lys 7.5296
Gln-Phe-Ile-Lys 7.5042
Gln-Val-Trp 7.5731
Glu-Leu 9856500 5.1474
Glu-Pro-Pro-Arg-Asp 4.7228
Glu-Ser-Leu-Met-Lys 5.9212
Glutamylvaline 433630 1.168
(Glycerophosphate)n 2.6917
Gly-His-Phe 1.2829
Gly-Leu-Arg-Val-Phe 3.7343
Gly-Leu-Asp-Val-Trp 6.4596
Gly-Lys 3080576 1.1018
Gly-Lys-Val 2.887
Gly-Pro-Val 2.1792
Gly-Trp-Arg 18221162 4.5631
Glyuranolide 195396 11.1037
Gossypetin 8-glucuronide 3-sulfate 73829986 12.101
Goyaglycoside g 131752341 4.1368
Guaiol acetate 61079 2.6623
Guanfacine 3519 1.5493
Guanidinosuccinic acid 439918 1.9617
Guanine 135398634 1.4998
Harmaline 3564 2.1295
HC Toxin 107864 3.2442
Heptadecanoyl carnitine 53477803 9.916
Heptadecasphinganine 3247037 7.3237
Heptaethylene glycol 79718 2.887
Heptaminol 3590 1.0923
Heptane-1-thiol 15422 1.0339
Heptyl 4-hydroxybenzoate 14138 4.4884
Hexaethylene glycol 17472 2.6626
Hexamethylene bisacetamide 3616 2.7157
Hexestrol 3606 2.823
His-Arg-Lys-Glu 3.6277
His-Arg-Val 7.7939
His-Glu-Gln-Lys 3.5108
His-Gly 101179 2.1654
His-Ile-Phe 8.0873
His-Lys-Gln-Lys 4.0119
His-Met-Lys 18221459 7.7309
His-Phe-Met 1.4903
Histamine 774 1.5061
Homatropin 3623 5.5951
Hovenidulcigenin B 101998902 9.7498
HS-10296 121280087 3.5168
Huperzine B 5462442 2.387
Huperzine R 636646 2.6819
Hydrastinine 3638 3.8262
Hydratopyrrhoxanthinol 134752613 4.1582
Hydroxidodioxidosulfidosulfate 13.1937
Hydroxycitronellal 7888 6.4181
hydroxy nitrite 123349 0.9973
Hydroxyquinoline 4.0751
Hyodeoxycholic acid 6747 8.296
hypoxanthine 135398638 1.2939
Ibudilast 3671 6.0491
Ibuprofen 3672 3.2771
Ile-Asn-Phe 3.0783
Ile-Cys 3082857 3.9005
Ile-Glu-Val-His-Gly 9.9742
Ile-Ile-Arg 18221773 9.247
Ile-Ile-Val 3.5594
Ile-Pro-Ala-Asp-Val 11.2288
Ile-Ser-OH 7021816 1.6821
Ile Val 2.1772
Ile-Val 449407 2.1807
Imiprothrin 123622 4.615
Imiquimod 57469 8.2136
Indinavir 53713043 4.7393
Indole-3-acetamide 397 2.4466
INDOLE-3-ACETATE 801 4.0751
Indole-3-Carboxaldehyde 10256 3.5279
Inosine 5'-tetraphosphate 135398694 4.3016
Irbesartan 3749 8.3432
Isoleucyl-Isoleucine 7010568 2.7614
Isonoruron 3035253 1.1978
Isopentenyl adenine 92180 2.1911
Isoprenaline 3779 1.3745
Isoprene 6557 3.4193
Isoproturon 36679 2.6155
Isothipendyl 3781 1.2169
Isovaleric acid 10430 6.2228
Isovalerylglycine 546304 2.0302
Isoxaben 73672 4.9375
Istamycin C 13187056 10.3896
Ivermectin B1a 6321424 9.7452
Jasmone 1549018 0.8387
Jasmonic acid 5281166 5.5866
JWH031 9995276 4.2147
JWH 309 6.4826
Kadsurin 171064 1.7961
Kahweol palmitate 101046637 10.6555
Kainic acid 10255 3.6764
Kalkitoxin 11176051 9.0139
Lagocholic acid 440427 6.9001
Lanost-8-ene-2,3,12,21,24,25-hexol 14506473 9.7418
Lauroyl peroxide 7773 6.0615
Leu-Asp-Val-Lys-His 4.2129
Leu-Glu-Phe-Glu 10.4727
Leu-Gly 97364 1.8495
Leu-Leu-Leu 82546 3.2193
Leu-Leu-Ser-Pro-Tyr 4.7314
Leu-Ser-Leu-Glu-Glu 10.1073
Leu-Val 6993115 2.4042
Leu-Val-Leu-Gly-Phe 5.3577
L-Hexahydro-3-imino-1,2,4-oxadiazepine-3-carboxylic acid 86205608 4.0834
L-Homophenylalanine 2724505 2.8122
Lidocaine 3676 3.3273
Linalyl benzoate 31353 2.78
Linoleoyl ethanolamide 5283446 9.9243
L-Isoleucine 6306 1.1994
Lithocholic acid 9903 9.7421
Litseakolide E 5316343 3.5933
L-Methionine 6137 1.1283
L-Norleucine 21236 1.9647
L-Norvaline 65098 2.5297
LPC(17:0/0:0) 24779463 9.3594
LPE(15:0/0:0) 52925150 8.1537
LPE(16:0/0:0) 9547069 8.6864
LPE(18:0/0:0) 9547068 8.9772
L-Phenylalanine 6140 2.3722
L-saccharopine 160556 5.7414
L-Tryptophan 1148 2.3798
L-Tyrosine 1153 1.1333
L-Tyrosine,ethyl ester 70364 4.9305
Luciduline 442480 1.5184
Lucigenin di 65100 2.6523
Lupenone 92158 11.3534
Lupeol acetate 92157 10.1487
Lupinine 91461 2.4974
L-Valine 6287 0.8559
Lys-Gln-Ala-Gly-Asp-Val 4615194 4.7388
Lys-His 14208651 4.1166
Lys-His-Ile-Glu-Glu 4.2577
Lys-Ile-Val-Lys 10.7208
Lys-Lys-Arg 19789254 9.5756
Lys-Lys-Thr 7.577
Lys-Met-His 7.7298
LysoPA(18:0e/0:0) 10432493 11.5445
LysoPA(19:0/0:0) 17786765 1.0831
LysoPA(22:0/0:0) 17786745 9.8579
LysoPC(18:2(9Z,12Z)) 11005824 8.3621
LysoPE(0:0/24:0) 53480946 3.8841
Lys-Pro 171204 8.1115
Lys-Pro-Thr 159483 2.8048
Lys-Thr-Lys 18222613 7.5731
Lys-Tyr-Thr-Ser-Ser 3.6269
Lysyl-Glycine 259320 2.4754
Lysyl-Tryptophan 4369395 4.4877
Lythidathion 17580 12.1676
Madecassic acid 73412 11.7439
Malonyl-L-carnitine 22833583 2.6866
Mancinellin 5281378 7.145
Manzamine A 5468480 5.3723
Menatetrenone 5282367 6.629
Menthyl lactate 62151 0.8358
Mequitazine 4066 3.6688
Mesoporphyrin IX 11.0719
Metalaxyl 42586 4.0137
Metaldehyde 61021 3.2019
Metamitron 38854 2.2195
Metanephrine 21100 1.6324
Metformin HCl 14219 1.8151
(-)-Methamphetamine 1206 1.1596
Methanone,1-naphthalenyl(1-propyl-1H-indol-3-yl)- 45271208 4.5154
Methanophenazine 5281992 10.4187
Methoxyfenozide 105010 4.5736
Methscopolamine bromide 5459110 4.9128
Methyl (2E)-3-(5-(2,3-dihydroxy-3-methylbutyl)-1-methyl-1H-imidazol-4-yl)prop-2-enoate 102571620 3.0137
Methyl 4-bromo-2-(methylsulfonyl)benzoate 53393139 0.7102
Methyl 4-(bromomethyl)cinnamate 11658908 0.931
Methyl 5-[(2,4-dichlorophenoxy)methyl]-2-furoate 919751 12.1427
Methyl acetoacetate 7757 0.9035
Methylcyclopentane 7296 0.962
Methylecgonine 104904 4.6648
Methylguanidine 10111 1.2502
Methyl Indole-3-Acetate 3.826
Methyl isobutyl ketone 7909 1.2077
Methyl Linolenyl Fluorophosphonate 9.4209
Methylpyrazine 7976 2.2233
Methylthiouracil 667493 0.6942
Met-Leu-Arg-Ala-Ala 3.6403
Metoprolol 4171 3.6261
Mexacarbate 9414 1.5748
MG(0:0/24:0/0:0) 53480972 9.7332
Mianserin 4184 3.2859
Miltefosine 3599 3.3855
Miserotoxin 107795 1.5008
Momordicilin 102066427 11.2371
Mundulone 4587968 2.9225
Myristic acid 11005 5.3424
Myristoyl ethanolamide 8890 6.6671
Myristoylglycine 72348 0.8497
Myxalamid A 6440913 11.5611
N1-[3-(Benzyloxy)benzyl]-1H-tetrazole-1,5-diamine 833835 2.7199
N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide 722817 2.3849
N1-Carbethoxy-N2-phthalazinehydrazine 5501 5.7451
N1,N12-Diacetylspermine 132680 0.9344
N1,N8-Diacetylspermidine 389613 0.8639
N-(2,4-Dinitrophenyl)hydrazinecarboxamide 3630608 1.2959
N-[2-(5,6-Dimethyl-1H-benzimidazol-2-yl)ethyl]-4-(4H-1,2,4-triazol-4-yl)benzamide 46978227 6.252
N2-Benzyl-1,3,5-triazine-2,4-diamine 77707 2.3884
N-[2-Chloro-5-(trifluoromethyl)phenyl]-2-(2-nitrophenoxy)acetamide 1543681 0.9061
N-(2-Ethylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine 1217494 2.8062
N-(2-hydroxyethyl)stearamide 27902 11.4614
N-(2-Phenylethyl)acetamide 70143 6.2219
N-[3-(1H-Imidazol-1-yl)propyl]-9H-purin-6-amine 4639586 1.4912
N-(3-(Aminomethyl)benzyl)acetamidine 1433 2.5288
N-(3-Dimethylaminopropyl)-N'-ethylcarbodiimide 15908 1.7977
N-(3-Indolylacetyl)-L-alanine 644225 3.0671
N-3-Oxohexadec-11Z-enoyl-L-homoserine lactone 71684661 9.8496
N-(4-Bromophenyl)urea 16074 1.7481
N-(4-Piperidinyl)acetamide 1445156 11.5362
N-(4-Piperidinyl)cyclopropanecarboxamide 1445166 1.8649
n5-Iminoethyl-l-ornithine 107984 1.6075
N6-methyladenosine 102175 2.2641
N-Acetyl-5-Hydroxytryptamine 903 1.9532
N-Acetylcadaverine 189087 1.0398
N-Acetyl-DL-methionine 6180 2.3385
N-Acetylimidazole 17174 2.3293
N-Acetyl-leucyl-leucine 443129 3.2446
N-Acetyl-L-Leucine 70912 2.0562
Naltrexone 44286694 3.1951
N-Benzoylaminopurine 97075 2.0561
N-Benzoylaspartic acid 95664 2.1392
N-Carbamoylputrescine 502 0.9971
N-cis-Tetradec-9-enoyl-L-homoserine lactone 35028743 0.8209
N-Cyclohexylbenzenecarbothioamide 1518773 2.0562
N-Cyclohexylcyclohexanecarboxamide 344739 3.0882
N-Cyclohexyl-N'-[4-(diethylamino)phenyl]urea 3847064 2.1307
N-Decanoyl-L-homoserine lactone 10131281 2.8435
Nelarabine 3011155 1.9591
N-Ethylacetamide 12253 3.0379
Neurodazine 16112820 2.1897
N-hydroxy-9-methylsulfanylnonanethioamide 44237117 1.1404
Nicotinic Acid 938 1.1321
Nicotinuric Acid 68499 2.2787
Nicotyrine 10249 2.4766
Nikethamide 5497 3.0031
Nitrocefin 6436140 0.9013
N-Lauroylglycine 346152 3.2608
N-Methylpyridinium 13597 1.1267
N-n-Butylpropionamide 221431 3.078
N,N-Dimethyl-4-nitrosoaniline 8749 1.3013
N,N-Dimethylaniline 949 1.2261
N,N-Dimethylarginine 123831 1.2242
N,N-Dimethylhistidine 440274 2.9365
N,N-dimethyl-L-Valine 11008044 2.2809
N-Nitrosodibutylamine 13542 1.2063
N-Nitrosopiperidine 7526 1.3596
N-Nitrosopyrrolidine 13591 12.0596
N,N,N',N'-Tetramethyl-p-phenylenediamine dihydrochloride 71561 1.2075
N-Octadecyl-N'-propyl-sulfamide 16103197 11.2952
N-Oleoylethanolamine 5283454 10.6491
Nonanohydrazide 235068 1.7985
Nonivamide 2998 3.0111
Nookatone 20797 2.8446
Norcodeine 9925873 2.5461
Norharmane 64961 2.9359
Nornicotine 412 2.9368
Nortriptyline hydrochloride 441358 1.4317
N-oxonitramide 61526 1.6503
N-Phenylacetylphenylalanine 47579 6.185
N-(Tert-Butoxycarbonyl)-L-leucine 83170 3.4535
N'-tert-Butyl-N,N-dimethylsulfamide 4357353 0.7932
N-Undecanoylglycine 454092 5.7942
N-undecanoyl-L-Homoserine lactone 10923593 3.9523
Nupharamine 10911986 2.2331
Octaethylene glycol 78798 3.0782
Octodrine (2-Amino-6-methylheptan) 10982 4.6234
O-Isopentenylhalfordinol 617263 5.2071
Oleoyl Ethanolamide-d4 8.1961
O,O-Diethyl hydrogen thiophosphate 655 13.1812
O,O-Diethyl thiophosphate 655 1.6822
Ortophosphate 12.1759
O-t-Butyl-L-threonine methyl ester 7018834 0.847
Oxotremorine 4630 2.9388
Oxprenolol 4631 2.978
Oxycodone 5284603 4.9369
O-Xylene 7237 1.3332
Ozagrel 5282440 1.2917
PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 52929432 4.0669
p-Acetaminobenzaldehyde 73942 1.5735
Palmitic acid alkyne 127256 2.9143
Palmitoyl-EA 4671 10.3896
Palmitoyl ethanolamide 4671 7.2977
Pantethine 452306 3.4519
Pantothenate 6613 2.0564
Paramethadione 8280 4.0099
PC(14:1(9Z)/16:1(9Z)) 52922252 10.1153
PC(15:0/20:5(5Z,8Z,11Z,14Z,17Z)) 52922332 4.5236
PC(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) 6441408 4.0975
p-Chloroisobutyrylfentanyl 100974915 3.0591
P-chlorophenylalanine 4652 2.4301
PC(o-22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 53481755 8.3618
PD-160725 2-hydroxyethanesulfonate 71312022 1.8491
Peimine 131900 5.1187
Peiminine 167691 4.615
Pencycuron 91692 2.3469
Pentaethylene glycol 62551 4.332
Pentapropylene glycol monobutyl ether 22667364 2.1773
Pentylenetetrazol 5917 3.0775
PE(P-16:0e/0:0) 42607469 9.0353
Perindoprilat 72022 2.1494
PG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 24779554 7.6543
PG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 52926310 8.2938
PGP(18:0/18:2(9Z,12Z)) 53481825 4.1997
PGP(a-13:0/a-13:0) 131823167 3.8694
Phe-Ala 5488196 2.2304
Phe-Arg-Arg 17972095 8.2971
Phe-Cys 10355684 2.0303
Phe-Ile-OH 7010566 6.1826
Phenethyl rutinoside 14312558 7.7299
Phenol glucuronide 87235 2.4554
Phenylacetylglycine dimethylamide 19536 1.1576
Phenylpyruvic acid 997 12.1427
Phenyltrimethylammonium 15914 1.7621
Pheophorbide a 253193 11.4615
Phe-Pro 7020642 2.9429
Phe-Thr-Tyr 2.1823
Phe-Tyr-Lys-Arg 3.7339
Phe-Val-Trp 7.7241
Phosphonic acid,P-[[4-[(1-oxotetradecyl)amino]phenyl]methyl]- 44176227 7.5734
phosphoric acid 1004 12.105
Phthalide 6885 7.4237
Phytomonic acid 10417 10.0905
Phytosphingosine 122121 6.3676
Picfeltarraenin IA 91884878 3.9514
Picrocrocin 130796 4.032
Pimonidazole 50981 1.9318
Piperazine,1-cyclohexyl-4-(1,2-diphenylethyl)- 431865 9.3291
Piperidine 8082 3.3273
Piperine 638024 7.4235
Piracetam 4843 1.6822
Pithecolobine 442870 10.5724
Pizotifen 27400 1.7072
p-Methoxytodadiol 129913 3.7022
Polidocanol 656641 10.0572
Polyporusterone G 44449940 9.8406
Populin 92735 4.6733
Porphobilinogen 1021 1.8685
Potassium sulfate 0.7248
Prednisolone 21-all-cis-farnesylate 5282236 5.0349
Pretazettine 73360 2.0225
Prilocaine 4906 2.8808
Pro-Ala 6347578 5.5626
Pro-Ala-His 3.5685
Procarbazine HCl 9703 1.1589
Proglumide 4922 5.3079
Pro-Ile 7079600 1.2327
Pro-Leu 444109 2.2555
Pro-Leu-Glu-Gly-Lys 3.4611
Promacyl 36733 5.5872
Propamocarb 32490 1.1118
Propan-2-yl 7-[(1R,2R,3S,5S)-2-[(3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoate 71433616 5.6531
Propane 6334 2.5024
Propanol 1031 0.9584
Propanoylagmatine 439760 1.3954
Propionylcarnitine 107738 1.3153
Propranolol hydrochloride 62882 1.1308
Prosapogenin A 11061578 3.9935
Pro-Tyr 7408108 2.3871
Proxan 7919 13.8625
Proxyphylline 4977 1.1404
Purine 1044 1.2941
Purmorphamine 5284329 3.3356
Putrescine 1045 0.9178
pyrazolidine 79033 1.4759
Pyridine 1049 1.1264
Pyridine-2-azo-p-dimethylaniline 81528 3.5394
Pyridoxal 1050 1.7017
Pyroxamide 4996 1.9078
Pyrrolidine 31268 0.9113
Pyrvinium 5281035 4.4904
Quinoline-2-carboxylic acid 7124 2.7366
Quisqualic acid 40539 2.0222
(R)-(-)-1-Amino-2-propanol 439938 3.7343
(R)-(-)-2-phenylglycine 70134 1.8152
(R)-[(2S,4S,5R)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol 6999115 1.15
(R)-(-)-3-Hydroxybutyric acid methyl ester 2724279 1.7514
Remikiren 6324659 3.6862
Resmethrin 5053 4.4408
Ricinoleic acid methyl ester 5354133 11.3453
Ritalinic acid 86863 4.4901
Ropivacaine HCl 6918111 5.1556
(S1)-Methoxy-3-heptanethiol 12009861 1.3319
(S)-2-Acetyl-2-hydroxybutanoic acid 440875 2.2148
(S)-2-Hydroxybutyric acid 440864 6.2227
(S)-2-Propylpiperidine 9985 0.8484
S-(3-Methyl-2-butenyl) 2-methylpropanethioate 71438214 2.5626
(S)-3-Methylthiohexyl hexanoate 543585 1.1339
Salicylic Acid 338 3.9522
(S)-Amiflamine 71221 2.3851
Sarmentosine 131752413 6.2478
Scopolamine 153311 4.8065
Sedanolide 111213 7.7933
Ser-Arg-Ala-Val-Cys 12.0181
Ser-Arg-Ser 2.8869
Ser-Leu 7015695 1.1438
Ser-Ser-Lys 18224084 4.8059
Ser-Ser-Val-Gln-Glu 11.046
Ser-Val-Arg 18224153 4.416
Ser-Val-Ile 3.8259
Simulansine 5321315 4.2994
Simvastatin 54454 9.5833
S-(Indolylmethylthiohydroximoyl)-L-cysteine 25245902 5.2805
SM(d18:0/12:0) 53481358 11.1041
Solanidine 65727 5.6997
Sorbitan laurate 347468 5.6453
Spermidine 1102 0.8879
Sphingosine 5280335 7.5556
Spirilloxanthin 5366506 10.6276
Stachydrine 115244 0.845
Stearoyl-L-carnitine 52922056 9.7829
Stearoyl Serotonin 594460 10.2234
Stercobilin 5280818 5.2735
(S)-Tetrahydroprotoberberine 164543 4.4985
Stigmast-4-ene-3,6-dione 11743229 11.5362
Suberohydroxamic acid 5173 1.0878
Succinic acid 4.2686
Sucralose 71485 0.9037
Sulfate 7.3288
(-)-Sulforaphene 6433206 0.9039
Sulfuric acid 1118 13.281
Taurine 1123 0.9186
Tecostanine 120773 3.2026
Telmisartan 65999 3.3855
Temurin 75324 2.281
tert-Butyl (1-(piperidin-3-yl)azetidin-3-yl)carbamate 45072269 1.5499
tert-Butyl 4-(aminomethyl)-1-piperidinecarboxylate 736817 3.2442
tert-Butyl [(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate 2734288 2.3551
tert-Butyl cyclohexylcarbamate 300728 5.3287
Testosterone 6013 10.8891
Testosterone decanoate 155143 9.2593
Tetradecanedioic acid 13185 8.6445
Tetraethylammonium bromide 6285 1.8663
Tetraethylene glycol 8200 2.0305
Tetramethylthiuram disulfide 5455 12.151
Thalicarpine 21470 3.7841
Therafectin 9798098 4.6068
Thiamine 1130 1.0144
Thiobenzamide S-oxide 99495 0.804
Thiomiltefosine 23641646 8.4786
Thiosulfate 1.6737
Thiosulfuric acid 13.497
threo-Dihydrobupropion 9834682 5.1475
Thr-Leu 7021827 1.1345
Thrombin Receptor Activator for Peptide 5 (TRAP-5) 3.8259
Thymine 1135 1.8743
Timosaponin A-III 15953793 4.4162
Tolterodine tartrate 443878 7.6551
Tomatidine 65576 6.1091
Tranexamic acid 5526 1.0591
trans-Stilbene 638088 1.1479
trans-Vaccenic acid 5281127 9.8495
Trapidil 5531 2.1728
TriacetonaMine 13220 2.1905
Tridihexethyl 20299 10.2162
Tri(ethylene glycol) monoethyl ether 8190 2.8477
Triethyl phosphate 6535 4.6899
Triforine 33565 12.1759
Trigonelline 5570 0.8393
Trigoneoside XIb 8.2954
Trihexosylceramide(d18:1/16:0) 20057315 4.0107
trihydroxy(selanylidene)-lambda5-phosphane 1092 12.0679
(Trimethylsilyl)methanamine 87488 1.4075
Triphenyl phosphate 8289 0.7101
Tripropylene glycol 32611 3.1782
Tris(2-methyl-1-aziridinyl)phosphine oxide 60976 1.1479
Tropine 8424 1.207
Tropinone 79038 4.208
Tryptamine 1150 3.1369
Tryptophyl-Leucine 323786 3.5098
Tutin 75729 4.3321
Tyramine 5610 1.3083
Tyr-Arg-Gln-Arg 4.823
Tyr-His-Arg-Arg 3.6863
Tyr-Ile-Lys-Lys 5.3737
Tyr-Leu 87071 2.7025
Tyr-Val-Arg-Lys 4.1665
Ubiquinone-4 5283545 11.586
Umbelliferone 5281426 0.9262
Urea-1-carboxylate 150833 3.0862
Uridine 5'-monophosphate 6030 2.5629
Urobilin 5280819 4.9966
Urobilinogen 26818 7.16
Urocanic acid 736715 1.125
Uzarigenin 92760 3.6448
Val-Cys-Asn-Ser-Lys 10.4727
Val-Val 107475 1.4329
Val-Val-Asn-Trp-Asp 4.7227
Valyl-Tyrosine 7009555 4.6823
Vitamin K 5280483 10.1487
Vorinostat 5311 7.0168
Xylometazoline hydrochloride 5282386 2.108
Yamogenin 3-O-neohesperidoside 441901 3.9923
Zaleplon 5719 4.0751
Zolpidem 5732 1.9398
METABOLITES_END
#END